Natural Product: NPC158900

Natural Product ID:  NPC158900
Common Name:   (+)-3-O-Feruloylcassine
IUPAC Name:   [(2R,3R,6S)-2-methyl-6-(11-oxododecyl)piperidin-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Synonyms:  
Molecular Formula:   C28H43NO5
Standard InCHIKey:  STSLNURRVKPSHZ-VQQILSIJSA-N
Standard InCHI:  InChI=1S/C28H43NO5/c1-21(30)12-10-8-6-4-5-7-9-11-13-24-16-18-26(22(2)29-24)34-28(32)19-15-23-14-17-25(31)27(20-23)33-3/h14-15,17,19-20,22,24,26,29,31H,4-13,16,18H2,1-3H3/b19-15+/t22-,24+,26-/m1/s1
Canonical SMILES:  COc1cc(/C=C/C(=O)O[C@@H]2CC[C@@H](N[C@@H]2C)CCCCCCCCCCC(=O)C)ccc1O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO32445 cassia spectabilis Species Fabaceae Eukaryota green fruits PMID[18047293]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Inhibition = 50 % 18625769
NPT324 Individual Protein Cyclooxygenase-1 Ovis aries Inhibition = 33 % 21601964

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC158900 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.8366 Intermediate Similarity NPC66518
0.8354 Intermediate Similarity NPC35345
0.8235 Intermediate Similarity NPC329816
0.8158 Intermediate Similarity NPC471110
0.8092 Intermediate Similarity NPC475468
0.8084 Intermediate Similarity NPC474858
0.8013 Intermediate Similarity NPC204546
0.8 Intermediate Similarity NPC231572
0.7962 Intermediate Similarity NPC908
0.7962 Intermediate Similarity NPC138438
0.795 Intermediate Similarity NPC469539
0.795 Intermediate Similarity NPC469540
0.7931 Intermediate Similarity NPC473562
0.7919 Intermediate Similarity NPC280767
0.787 Intermediate Similarity NPC329717
0.7852 Intermediate Similarity NPC20443
0.7852 Intermediate Similarity NPC273686
0.7852 Intermediate Similarity NPC146886
0.7852 Intermediate Similarity NPC312404
0.7852 Intermediate Similarity NPC60517
0.7843 Intermediate Similarity NPC88667
0.7834 Intermediate Similarity NPC284409
0.7821 Intermediate Similarity NPC90431
0.7815 Intermediate Similarity NPC151167
0.7815 Intermediate Similarity NPC5018
0.7815 Intermediate Similarity NPC276466
0.7815 Intermediate Similarity NPC123722
0.7815 Intermediate Similarity NPC123228
0.7785 Intermediate Similarity NPC242372
0.7785 Intermediate Similarity NPC4181
0.7785 Intermediate Similarity NPC289690
0.7785 Intermediate Similarity NPC257976
0.7785 Intermediate Similarity NPC164778
0.7785 Intermediate Similarity NPC288452
0.775 Intermediate Similarity NPC294249
0.7748 Intermediate Similarity NPC303680
0.7748 Intermediate Similarity NPC90128
0.7748 Intermediate Similarity NPC179777
0.7748 Intermediate Similarity NPC84076
0.7748 Intermediate Similarity NPC213552
0.7748 Intermediate Similarity NPC120225
0.7746 Intermediate Similarity NPC329992
0.7744 Intermediate Similarity NPC277669
0.7744 Intermediate Similarity NPC76213
0.7718 Intermediate Similarity NPC114298
0.7712 Intermediate Similarity NPC304622
0.7712 Intermediate Similarity NPC241354
0.7712 Intermediate Similarity NPC83062
0.7688 Intermediate Similarity NPC254053
0.7682 Intermediate Similarity NPC289459
0.7679 Intermediate Similarity NPC329640
0.7669 Intermediate Similarity NPC153644
0.7665 Intermediate Similarity NPC160931
0.7665 Intermediate Similarity NPC37205
0.7662 Intermediate Similarity NPC172673
0.7651 Intermediate Similarity NPC177291
0.7651 Intermediate Similarity NPC477564
0.7651 Intermediate Similarity NPC194416
0.7651 Intermediate Similarity NPC2295
0.7647 Intermediate Similarity NPC278308
0.764 Intermediate Similarity NPC475566
0.7633 Intermediate Similarity NPC26353
0.7622 Intermediate Similarity NPC207824
0.7622 Intermediate Similarity NPC60538
0.7616 Intermediate Similarity NPC246704
0.7593 Intermediate Similarity NPC469615
0.7584 Intermediate Similarity NPC229234
0.7584 Intermediate Similarity NPC158949
0.7584 Intermediate Similarity NPC204466
0.7582 Intermediate Similarity NPC161593
0.7582 Intermediate Similarity NPC145888
0.7582 Intermediate Similarity NPC20287
0.7582 Intermediate Similarity NPC293641
0.7582 Intermediate Similarity NPC20404
0.7582 Intermediate Similarity NPC16031
0.7582 Intermediate Similarity NPC12022
0.758 Intermediate Similarity NPC176814
0.758 Intermediate Similarity NPC4982
0.758 Intermediate Similarity NPC68779
0.758 Intermediate Similarity NPC5310
0.758 Intermediate Similarity NPC300776
0.7576 Intermediate Similarity NPC478242
0.7571 Intermediate Similarity NPC32154
0.7566 Intermediate Similarity NPC257589
0.7566 Intermediate Similarity NPC53305
0.7564 Intermediate Similarity NPC239302
0.7556 Intermediate Similarity NPC162694
0.755 Intermediate Similarity NPC163083
0.755 Intermediate Similarity NPC140359
0.755 Intermediate Similarity NPC13020
0.7548 Intermediate Similarity NPC329595
0.7548 Intermediate Similarity NPC137427
0.7548 Intermediate Similarity NPC65935
0.7548 Intermediate Similarity NPC123196
0.7548 Intermediate Similarity NPC319282
0.7548 Intermediate Similarity NPC275724
0.7548 Intermediate Similarity NPC311419
0.7548 Intermediate Similarity NPC326599
0.7548 Intermediate Similarity NPC244246
0.7548 Intermediate Similarity NPC215941
0.7546 Intermediate Similarity NPC258671
0.7546 Intermediate Similarity NPC469683
0.7546 Intermediate Similarity NPC53884
0.7533 Intermediate Similarity NPC201777
0.7533 Intermediate Similarity NPC70752
0.7532 Intermediate Similarity NPC226661
0.7532 Intermediate Similarity NPC110313
0.7517 Intermediate Similarity NPC202474
0.7516 Intermediate Similarity NPC92207
0.7516 Intermediate Similarity NPC327410
0.7516 Intermediate Similarity NPC127937
0.7516 Intermediate Similarity NPC276014
0.7516 Intermediate Similarity NPC470441
0.7515 Intermediate Similarity NPC182119
0.7515 Intermediate Similarity NPC98009
0.7514 Intermediate Similarity NPC83019
0.7486 Intermediate Similarity NPC94499
0.7486 Intermediate Similarity NPC138083
0.7485 Intermediate Similarity NPC471073
0.7485 Intermediate Similarity NPC304956
0.7485 Intermediate Similarity NPC270811
0.7485 Intermediate Similarity NPC160378
0.7485 Intermediate Similarity NPC469978
0.7483 Intermediate Similarity NPC286573
0.747 Intermediate Similarity NPC476394
0.747 Intermediate Similarity NPC98809
0.7468 Intermediate Similarity NPC135127
0.7459 Intermediate Similarity NPC204580
0.7459 Intermediate Similarity NPC124626
0.7458 Intermediate Similarity NPC241704
0.7455 Intermediate Similarity NPC428
0.7455 Intermediate Similarity NPC476571
0.7455 Intermediate Similarity NPC299090
0.7455 Intermediate Similarity NPC246587
0.7455 Intermediate Similarity NPC221383
0.7455 Intermediate Similarity NPC135538
0.7455 Intermediate Similarity NPC24233
0.7455 Intermediate Similarity NPC147390
0.7455 Intermediate Similarity NPC283081
0.7455 Intermediate Similarity NPC143892
0.7453 Intermediate Similarity NPC322021
0.7453 Intermediate Similarity NPC474784
0.7451 Intermediate Similarity NPC320242
0.745 Intermediate Similarity NPC299406
0.7446 Intermediate Similarity NPC469815
0.7446 Intermediate Similarity NPC469816
0.744 Intermediate Similarity NPC56635
0.7438 Intermediate Similarity NPC126206
0.7438 Intermediate Similarity NPC299583
0.7436 Intermediate Similarity NPC66905
0.7434 Intermediate Similarity NPC160900
0.7434 Intermediate Similarity NPC18984
0.7434 Intermediate Similarity NPC106659
0.7434 Intermediate Similarity NPC229084
0.743 Intermediate Similarity NPC298339
0.7427 Intermediate Similarity NPC226428
0.7427 Intermediate Similarity NPC135006
0.7421 Intermediate Similarity NPC113295
0.7418 Intermediate Similarity NPC174122
0.7418 Intermediate Similarity NPC64140
0.7412 Intermediate Similarity NPC131532
0.741 Intermediate Similarity NPC472969
0.741 Intermediate Similarity NPC1580
0.7407 Intermediate Similarity NPC100675
0.7405 Intermediate Similarity NPC155209
0.7405 Intermediate Similarity NPC168799
0.74 Intermediate Similarity NPC2058
0.7399 Intermediate Similarity NPC4138
0.7399 Intermediate Similarity NPC255607
0.7399 Intermediate Similarity NPC121275
0.7399 Intermediate Similarity NPC284183
0.7399 Intermediate Similarity NPC3375
0.7394 Intermediate Similarity NPC98356
0.7394 Intermediate Similarity NPC179825
0.7394 Intermediate Similarity NPC321505
0.7394 Intermediate Similarity NPC191376
0.7389 Intermediate Similarity NPC198388
0.7389 Intermediate Similarity NPC470392
0.7389 Intermediate Similarity NPC469480
0.7386 Intermediate Similarity NPC475215
0.7386 Intermediate Similarity NPC108434
0.7383 Intermediate Similarity NPC309434
0.7383 Intermediate Similarity NPC70744
0.7383 Intermediate Similarity NPC272471
0.7383 Intermediate Similarity NPC203124
0.7383 Intermediate Similarity NPC107588
0.7383 Intermediate Similarity NPC164706
0.7383 Intermediate Similarity NPC137537
0.7383 Intermediate Similarity NPC205502
0.7381 Intermediate Similarity NPC178048
0.7381 Intermediate Similarity NPC475454
0.7381 Intermediate Similarity NPC300329
0.7381 Intermediate Similarity NPC118033
0.7381 Intermediate Similarity NPC473680
0.7381 Intermediate Similarity NPC475311
0.7381 Intermediate Similarity NPC473579
0.7378 Intermediate Similarity NPC17760
0.7378 Intermediate Similarity NPC473090
0.7375 Intermediate Similarity NPC14600
0.7375 Intermediate Similarity NPC120852

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC158900 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8418 Intermediate Similarity NPD3455 Phase 2
0.8235 Intermediate Similarity NPD2239 Approved
0.8235 Intermediate Similarity NPD2240 Approved
0.8129 Intermediate Similarity NPD7038 Approved
0.8129 Intermediate Similarity NPD7039 Approved
0.8092 Intermediate Similarity NPD6853 Approved
0.8092 Intermediate Similarity NPD6851 Approved
0.8077 Intermediate Similarity NPD2976 Clinical (unspecified phase)
0.8012 Intermediate Similarity NPD3687 Approved
0.8012 Intermediate Similarity NPD3686 Approved
0.7975 Intermediate Similarity NPD6385 Approved
0.7975 Intermediate Similarity NPD6386 Approved
0.7974 Intermediate Similarity NPD555 Phase 2
0.7962 Intermediate Similarity NPD3060 Approved
0.7937 Intermediate Similarity NPD3536 Discontinued
0.7879 Intermediate Similarity NPD2978 Approved
0.7879 Intermediate Similarity NPD2977 Approved
0.7866 Intermediate Similarity NPD6677 Suspended
0.7861 Intermediate Similarity NPD6297 Approved
0.7848 Intermediate Similarity NPD4162 Approved
0.7843 Intermediate Similarity NPD259 Phase 1
0.7818 Intermediate Similarity NPD5355 Approved
0.7818 Intermediate Similarity NPD5356 Approved
0.7811 Intermediate Similarity NPD6107 Approved
0.7744 Intermediate Similarity NPD2649 Approved
0.7744 Intermediate Similarity NPD2651 Approved
0.7725 Intermediate Similarity NPD5353 Approved
0.7692 Intermediate Similarity NPD6315 Phase 2
0.7692 Intermediate Similarity NPD2653 Approved
0.7677 Intermediate Similarity NPD825 Approved
0.7677 Intermediate Similarity NPD826 Approved
0.767 Intermediate Similarity NPD3936 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD4666 Phase 3
0.7625 Intermediate Similarity NPD4237 Approved
0.7625 Intermediate Similarity NPD4236 Phase 3
0.7613 Intermediate Similarity NPD3532 Approved
0.7613 Intermediate Similarity NPD3531 Approved
0.7613 Intermediate Similarity NPD3530 Approved
0.7607 Intermediate Similarity NPD1754 Clinical (unspecified phase)
0.7588 Intermediate Similarity NPD5709 Phase 3
0.7586 Intermediate Similarity NPD2163 Approved
0.7582 Intermediate Similarity NPD9569 Approved
0.758 Intermediate Similarity NPD3054 Approved
0.758 Intermediate Similarity NPD3052 Approved
0.75 Intermediate Similarity NPD4661 Approved
0.75 Intermediate Similarity NPD4662 Approved
0.7486 Intermediate Similarity NPD6620 Discovery
0.7468 Intermediate Similarity NPD817 Approved
0.7468 Intermediate Similarity NPD823 Approved
0.7456 Intermediate Similarity NPD3465 Clinical (unspecified phase)
0.7455 Intermediate Similarity NPD3647 Clinical (unspecified phase)
0.7451 Intermediate Similarity NPD1819 Approved
0.7451 Intermediate Similarity NPD1818 Approved
0.7451 Intermediate Similarity NPD1820 Approved
0.7451 Intermediate Similarity NPD1817 Approved
0.744 Intermediate Similarity NPD6873 Phase 2
0.744 Intermediate Similarity NPD2541 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD1774 Approved
0.7438 Intermediate Similarity NPD9570 Approved
0.7436 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD597 Approved
0.7436 Intermediate Similarity NPD601 Approved
0.7436 Intermediate Similarity NPD598 Approved
0.7434 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.743 Intermediate Similarity NPD3534 Clinical (unspecified phase)
0.7425 Intermediate Similarity NPD824 Approved
0.7419 Intermediate Similarity NPD2614 Approved
0.7403 Intermediate Similarity NPD3857 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD4018 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7394 Intermediate Similarity NPD3146 Approved
0.7389 Intermediate Similarity NPD1132 Approved
0.7389 Intermediate Similarity NPD1136 Approved
0.7389 Intermediate Similarity NPD1130 Approved
0.7386 Intermediate Similarity NPD2198 Approved
0.7386 Intermediate Similarity NPD2199 Approved
0.7386 Intermediate Similarity NPD196 Phase 1
0.7372 Intermediate Similarity NPD3167 Approved
0.7372 Intermediate Similarity NPD3165 Approved
0.7372 Intermediate Similarity NPD9537 Phase 1
0.7372 Intermediate Similarity NPD9536 Phase 1
0.7372 Intermediate Similarity NPD5163 Phase 2
0.7372 Intermediate Similarity NPD3180 Approved
0.7372 Intermediate Similarity NPD3166 Approved
0.7372 Intermediate Similarity NPD3179 Approved
0.7372 Intermediate Similarity NPD3164 Approved
0.7371 Intermediate Similarity NPD3451 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD5314 Approved
0.7358 Intermediate Similarity NPD3528 Clinical (unspecified phase)
0.7356 Intermediate Similarity NPD7608 Discontinued
0.7346 Intermediate Similarity NPD7153 Discontinued
0.7342 Intermediate Similarity NPD3061 Approved
0.7342 Intermediate Similarity NPD3062 Approved
0.7342 Intermediate Similarity NPD3059 Approved
0.7342 Intermediate Similarity NPD3140 Approved
0.7342 Intermediate Similarity NPD3142 Approved
0.7338 Intermediate Similarity NPD3055 Approved
0.7338 Intermediate Similarity NPD3053 Approved
0.7329 Intermediate Similarity NPD6032 Approved
0.7322 Intermediate Similarity NPD6377 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD5241 Discontinued
0.7317 Intermediate Similarity NPD2677 Approved
0.7314 Intermediate Similarity NPD5242 Approved
0.7308 Intermediate Similarity NPD3863 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD3640 Phase 3
0.7305 Intermediate Similarity NPD3641 Approved
0.7305 Intermediate Similarity NPD3639 Approved
0.7305 Intermediate Similarity NPD6030 Approved
0.7305 Intermediate Similarity NPD6031 Approved
0.729 Intermediate Similarity NPD257 Approved
0.729 Intermediate Similarity NPD258 Approved
0.7287 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD1423 Approved
0.7273 Intermediate Similarity NPD3122 Phase 3
0.7273 Intermediate Similarity NPD4575 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD2898 Approved
0.7267 Intermediate Similarity NPD2154 Approved
0.7267 Intermediate Similarity NPD2155 Approved
0.7267 Intermediate Similarity NPD2156 Approved
0.7256 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7256 Intermediate Similarity NPD4110 Phase 3
0.7247 Intermediate Similarity NPD5312 Approved
0.7247 Intermediate Similarity NPD5313 Approved
0.7246 Intermediate Similarity NPD7527 Clinical (unspecified phase)
0.7246 Intermediate Similarity NPD52 Approved
0.7246 Intermediate Similarity NPD2675 Approved
0.7246 Intermediate Similarity NPD2676 Approved
0.7246 Intermediate Similarity NPD7526 Approved
0.7239 Intermediate Similarity NPD1372 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD7235 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD1794 Approved
0.7222 Intermediate Similarity NPD1538 Phase 1
0.7222 Intermediate Similarity NPD1537 Approved
0.7222 Intermediate Similarity NPD1519 Approved
0.7219 Intermediate Similarity NPD3866 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7196 Intermediate Similarity NPD7565 Approved
0.7193 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD6844 Discontinued
0.7189 Intermediate Similarity NPD2488 Approved
0.7189 Intermediate Similarity NPD2490 Approved
0.7186 Intermediate Similarity NPD6419 Discontinued
0.7182 Intermediate Similarity NPD7132 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD9620 Approved
0.7179 Intermediate Similarity NPD9619 Approved
0.7179 Intermediate Similarity NPD9621 Approved
0.717 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.717 Intermediate Similarity NPD2674 Phase 3
0.717 Intermediate Similarity NPD5745 Approved
0.7169 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD5311 Approved
0.7161 Intermediate Similarity NPD5310 Approved
0.716 Intermediate Similarity NPD4124 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD5457 Discontinued
0.7151 Intermediate Similarity NPD5096 Phase 3
0.7151 Intermediate Similarity NPD5772 Approved
0.7151 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD5773 Approved
0.7151 Intermediate Similarity NPD3933 Discontinued
0.7151 Intermediate Similarity NPD5095 Phase 3
0.715 Intermediate Similarity NPD7999 Approved
0.7143 Intermediate Similarity NPD2492 Phase 1
0.7134 Intermediate Similarity NPD7596 Clinical (unspecified phase)
0.7134 Intermediate Similarity NPD9494 Approved
0.7126 Intermediate Similarity NPD8031 Discontinued
0.712 Intermediate Similarity NPD2493 Approved
0.712 Intermediate Similarity NPD2494 Approved
0.7117 Intermediate Similarity NPD3175 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD1523 Approved
0.7117 Intermediate Similarity NPD1522 Approved
0.711 Intermediate Similarity NPD5978 Approved
0.711 Intermediate Similarity NPD5977 Approved
0.7107 Intermediate Similarity NPD7827 Phase 1
0.7107 Intermediate Similarity NPD1336 Approved
0.7107 Intermediate Similarity NPD5718 Phase 2
0.7104 Intermediate Similarity NPD6618 Phase 2
0.7104 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD7131 Phase 3
0.7099 Intermediate Similarity NPD1536 Approved
0.7097 Intermediate Similarity NPD5525 Clinical (unspecified phase)
0.7093 Intermediate Similarity NPD5722 Discontinued
0.7093 Intermediate Similarity NPD7577 Discontinued
0.7091 Intermediate Similarity NPD5062 Approved
0.7091 Intermediate Similarity NPD5061 Approved
0.7091 Intermediate Similarity NPD5177 Phase 3
0.7083 Intermediate Similarity NPD5348 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD1337 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD3656 Approved
0.7068 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD4420 Approved
0.7048 Intermediate Similarity NPD8166 Discontinued
0.7044 Intermediate Similarity NPD5746 Approved
0.7041 Intermediate Similarity NPD2186 Approved
0.7037 Intermediate Similarity NPD7667 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD4772 Phase 2
0.7035 Intermediate Similarity NPD7930 Approved
0.7035 Intermediate Similarity NPD4773 Phase 2
0.7035 Intermediate Similarity NPD7109 Clinical (unspecified phase)
0.7035 Intermediate Similarity NPD7110 Phase 1

Structure

External Identifiers

PubChem CID   24763163
ChEMBL   CHEMBL249463
ZINC  

Physicochemical Properties

Molecular Weight:  473.31
ALogP:  -4.1495
MLogP:  3.88
XLogP:  6.499
# Rotatable Bonds:  20
Polar Surface Area:  84.86
# H-Bond Aceptor:  4
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  34

Download Data

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General Info & Identifiers & Properties  
Structure MOL file  
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Biological Activities  
Similar NPs/Drugs