Natural Product: NPC318862

Natural Product ID:  NPC318862
Common Name:   1-[(4E,9E)-10-(3,4-Methylenedioxyphenyl)-4,9-Nonadienoyl]Pyrrolidine
IUPAC Name:   (4E,10E)-11-(1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylundeca-4,10-dien-1-one
Synonyms:  
Molecular Formula:   C22H29NO3
Standard InCHIKey:  LALIMVNVUDRVIW-RQBRCHNQSA-N
Standard InCHI:  InChI=1S/C22H29NO3/c24-22(23-15-9-10-16-23)12-8-6-4-2-1-3-5-7-11-19-13-14-20-21(17-19)26-18-25-20/h4,6-7,11,13-14,17H,1-3,5,8-10,12,15-16,18H2/b6-4+,11-7+
Canonical SMILES:  O=C(N1CCCC1)CC/C=C/CCCC/C=C/c1ccc2c(c1)OCO2
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
NPO30128 Piper boehmeriaefolium Species Piperaceae Eukaryota Whole Plant Luxi County, Yunnan Province, China 2008-OCT PMID[21158422]
NPO30128 Piper boehmeriaefolium Species Piperaceae Eukaryota Whole Plants PMID[21158422]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT165 Cell Line HeLa Homo sapiens IC50 = 12.19 ug/ml 21158422
NPT81 Cell Line A549 Homo sapiens IC50 > 40000 nM 25241925
NPT83 Cell Line MCF7 Homo sapiens IC50 > 40000 nM 25241925
NPT133 Cell Line ZR-75-1 Homo sapiens IC50 > 40000 nM 25241925
NPT134 Cell Line SK-BR-3 Homo sapiens IC50 > 40000 nM 25241925
NPT82 Cell Line MDA-MB-231 Homo sapiens IC50 > 40000 nM 25241925
NPT90 Cell Line DU-145 Homo sapiens IC50 > 40000 nM 25241925
NPT91 Cell Line KB Homo sapiens IC50 > 40000 nM 25241925
NPT2 Others Unspecified IC50 > 40000 nM 25241925

  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 NPC318862 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
0.9612 High Similarity NPC28641
0.9612 High Similarity NPC194359
0.9531 High Similarity NPC94280
0.9531 High Similarity NPC328419
0.9531 High Similarity NPC159150
0.9531 High Similarity NPC103947
0.9531 High Similarity NPC193673
0.9531 High Similarity NPC45783
0.9457 High Similarity NPC96406
0.9385 High Similarity NPC137172
0.9385 High Similarity NPC145446
0.9375 High Similarity NPC217574
0.9313 High Similarity NPC248505
0.9313 High Similarity NPC95366
0.9308 High Similarity NPC180647
0.9167 High Similarity NPC225745
0.9015 High Similarity NPC230698
0.9015 High Similarity NPC251454
0.9015 High Similarity NPC196609
0.9015 High Similarity NPC277042
0.9015 High Similarity NPC136330
0.9015 High Similarity NPC255817
0.9015 High Similarity NPC205178
0.9015 High Similarity NPC73883
0.8947 High Similarity NPC99078
0.8939 High Similarity NPC167096
0.8881 High Similarity NPC252107
0.8881 High Similarity NPC220923
0.8881 High Similarity NPC470707
0.8394 Intermediate Similarity NPC469808
0.8239 Intermediate Similarity NPC244338
0.8176 Intermediate Similarity NPC169742
0.8134 Intermediate Similarity NPC251466
0.8116 Intermediate Similarity NPC473463
0.8108 Intermediate Similarity NPC470708
0.806 Intermediate Similarity NPC170583
0.806 Intermediate Similarity NPC207541
0.806 Intermediate Similarity NPC152186
0.806 Intermediate Similarity NPC71105
0.806 Intermediate Similarity NPC246133
0.806 Intermediate Similarity NPC182147
0.8056 Intermediate Similarity NPC469978
0.8041 Intermediate Similarity NPC270811
0.8041 Intermediate Similarity NPC471073
0.8015 Intermediate Similarity NPC469977
0.8 Intermediate Similarity NPC156944
0.8 Intermediate Similarity NPC127326
0.7985 Intermediate Similarity NPC300955
0.797 Intermediate Similarity NPC256167
0.7956 Intermediate Similarity NPC470706
0.7941 Intermediate Similarity NPC191302
0.7941 Intermediate Similarity NPC157740
0.7941 Intermediate Similarity NPC291449
0.7941 Intermediate Similarity NPC99798
0.7941 Intermediate Similarity NPC41331
0.7939 Intermediate Similarity NPC69670
0.7937 Intermediate Similarity NPC31279
0.7887 Intermediate Similarity NPC231572
0.7883 Intermediate Similarity NPC246974
0.7883 Intermediate Similarity NPC147247
0.7872 Intermediate Similarity NPC416184
0.7857 Intermediate Similarity NPC284855
0.7857 Intermediate Similarity NPC282477
0.7846 Intermediate Similarity NPC111225
0.7842 Intermediate Similarity NPC118419
0.7838 Intermediate Similarity NPC470088
0.7817 Intermediate Similarity NPC113236
0.7817 Intermediate Similarity NPC214036
0.7786 Intermediate Similarity NPC199209
0.7786 Intermediate Similarity NPC212643
0.7785 Intermediate Similarity NPC223125
0.7761 Intermediate Similarity NPC114845
0.7761 Intermediate Similarity NPC80241
0.7761 Intermediate Similarity NPC301641
0.7746 Intermediate Similarity NPC7018
0.7692 Intermediate Similarity NPC231198
0.7682 Intermediate Similarity NPC223124
0.7681 Intermediate Similarity NPC64948
0.7681 Intermediate Similarity NPC172403
0.7676 Intermediate Similarity NPC11147
0.7669 Intermediate Similarity NPC57501
0.7616 Intermediate Similarity NPC474852
0.7612 Intermediate Similarity NPC344161
0.7606 Intermediate Similarity NPC205915
0.7582 Intermediate Similarity NPC76079
0.7582 Intermediate Similarity NPC78733
0.7574 Intermediate Similarity NPC298486
0.7571 Intermediate Similarity NPC476748
0.7569 Intermediate Similarity NPC193528
0.7568 Intermediate Similarity NPC145304
0.7561 Intermediate Similarity NPC102760
0.7552 Intermediate Similarity NPC110958
0.7552 Intermediate Similarity NPC19890
0.7533 Intermediate Similarity NPC475959
0.7519 Intermediate Similarity NPC33271
0.7518 Intermediate Similarity NPC477705
0.7518 Intermediate Similarity NPC477694
0.75 Intermediate Similarity NPC193484
0.7482 Intermediate Similarity NPC213711
0.7482 Intermediate Similarity NPC40352
0.7465 Intermediate Similarity NPC477706
0.7463 Intermediate Similarity NPC159916
0.7451 Intermediate Similarity NPC233029
0.7451 Intermediate Similarity NPC210148
0.7451 Intermediate Similarity NPC148898
0.7448 Intermediate Similarity NPC254610
0.7448 Intermediate Similarity NPC230968
0.7448 Intermediate Similarity NPC102260
0.7444 Intermediate Similarity NPC268317
0.744 Intermediate Similarity NPC12714
0.744 Intermediate Similarity NPC310905
0.7438 Intermediate Similarity NPC241055
0.7431 Intermediate Similarity NPC475828
0.7429 Intermediate Similarity NPC158737
0.7429 Intermediate Similarity NPC177167
0.7429 Intermediate Similarity NPC286683
0.7419 Intermediate Similarity NPC31311
0.7419 Intermediate Similarity NPC234392
0.7415 Intermediate Similarity NPC275150
0.741 Intermediate Similarity NPC85830
0.741 Intermediate Similarity NPC120066
0.7407 Intermediate Similarity NPC119949
0.7397 Intermediate Similarity NPC166184
0.7391 Intermediate Similarity NPC474708
0.7391 Intermediate Similarity NPC249788
0.7389 Intermediate Similarity NPC97072
0.7389 Intermediate Similarity NPC215829
0.7388 Intermediate Similarity NPC185738
0.7388 Intermediate Similarity NPC120075
0.7376 Intermediate Similarity NPC226862
0.7376 Intermediate Similarity NPC165128
0.7376 Intermediate Similarity NPC158471
0.7376 Intermediate Similarity NPC57119
0.7376 Intermediate Similarity NPC283079
0.7368 Intermediate Similarity NPC469539
0.7368 Intermediate Similarity NPC469540
0.7368 Intermediate Similarity NPC211296
0.7357 Intermediate Similarity NPC218323
0.7329 Intermediate Similarity NPC475845
0.7329 Intermediate Similarity NPC86469
0.7328 Intermediate Similarity NPC245552
0.7324 Intermediate Similarity NPC160193
0.7323 Intermediate Similarity NPC292792
0.7321 Intermediate Similarity NPC471650
0.7305 Intermediate Similarity NPC83511
0.7299 Intermediate Similarity NPC471877
0.7296 Intermediate Similarity NPC218614
0.7292 Intermediate Similarity NPC266425
0.729 Intermediate Similarity NPC292003
0.7287 Intermediate Similarity NPC258171
0.7286 Intermediate Similarity NPC17348
0.7279 Intermediate Similarity NPC52968
0.7279 Intermediate Similarity NPC231719
0.7278 Intermediate Similarity NPC165797
0.7273 Intermediate Similarity NPC271208
0.7273 Intermediate Similarity NPC171550
0.7273 Intermediate Similarity NPC134764
0.7273 Intermediate Similarity NPC233224
0.7267 Intermediate Similarity NPC57812
0.7267 Intermediate Similarity NPC474324
0.726 Intermediate Similarity NPC231884
0.726 Intermediate Similarity NPC42793
0.726 Intermediate Similarity NPC167944
0.7256 Intermediate Similarity NPC308267
0.7252 Intermediate Similarity NPC179309
0.725 Intermediate Similarity NPC168409
0.7248 Intermediate Similarity NPC138438
0.7248 Intermediate Similarity NPC162851
0.7248 Intermediate Similarity NPC908
0.7248 Intermediate Similarity NPC282291
0.7248 Intermediate Similarity NPC218092
0.7248 Intermediate Similarity NPC166137
0.7248 Intermediate Similarity NPC246474
0.7244 Intermediate Similarity NPC93593
0.7244 Intermediate Similarity NPC216459
0.7244 Intermediate Similarity NPC41178
0.7244 Intermediate Similarity NPC138487
0.7234 Intermediate Similarity NPC301713
0.7234 Intermediate Similarity NPC274356
0.7222 Intermediate Similarity NPC192255
0.7222 Intermediate Similarity NPC82111
0.7222 Intermediate Similarity NPC227160
0.7219 Intermediate Similarity NPC327623
0.7218 Intermediate Similarity NPC303522
0.7215 Intermediate Similarity NPC477080
0.7215 Intermediate Similarity NPC106786
0.7206 Intermediate Similarity NPC205502
0.7206 Intermediate Similarity NPC277460
0.7202 Intermediate Similarity NPC116007
0.72 Intermediate Similarity NPC210354
0.72 Intermediate Similarity NPC176586
0.7197 Intermediate Similarity NPC146288
0.719 Intermediate Similarity NPC59907
0.719 Intermediate Similarity NPC37144
0.7188 Intermediate Similarity NPC59567
0.7188 Intermediate Similarity NPC320104
0.7183 Intermediate Similarity NPC186898
0.7183 Intermediate Similarity NPC153990
0.7183 Intermediate Similarity NPC100129
0.7183 Intermediate Similarity NPC223807

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC318862 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
0.9015 High Similarity NPD2492 Phase 1
0.8112 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7877 Intermediate Similarity NPD5297 Approved
0.7842 Intermediate Similarity NPD554 Clinical (unspecified phase)
0.7687 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7667 Intermediate Similarity NPD4210 Discontinued
0.7626 Intermediate Similarity NPD5752 Clinical (unspecified phase)
0.7607 Intermediate Similarity NPD7280 Phase 3
0.7607 Intermediate Similarity NPD7281 Phase 3
0.76 Intermediate Similarity NPD6662 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD3688 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD3146 Approved
0.7571 Intermediate Similarity NPD2669 Clinical (unspecified phase)
0.7537 Intermediate Similarity NPD1357 Approved
0.7518 Intermediate Similarity NPD5718 Phase 2
0.7431 Intermediate Similarity NPD2653 Approved
0.7403 Intermediate Similarity NPD7110 Phase 1
0.7403 Intermediate Similarity NPD7109 Clinical (unspecified phase)
0.7388 Intermediate Similarity NPD5536 Phase 2
0.7386 Intermediate Similarity NPD824 Approved
0.7372 Intermediate Similarity NPD3705 Approved
0.7365 Intermediate Similarity NPD4237 Approved
0.7365 Intermediate Similarity NPD4236 Phase 3
0.7353 Intermediate Similarity NPD2423 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD1337 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD6876 Approved
0.7338 Intermediate Similarity NPD6875 Approved
0.7305 Intermediate Similarity NPD2040 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD1372 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD2219 Phase 1
0.726 Intermediate Similarity NPD6895 Approved
0.726 Intermediate Similarity NPD743 Approved
0.726 Intermediate Similarity NPD6896 Approved
0.7256 Intermediate Similarity NPD3885 Approved
0.7211 Intermediate Similarity NPD6028 Clinical (unspecified phase)
0.7211 Intermediate Similarity NPD6029 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD4166 Phase 2
0.7143 Intermediate Similarity NPD1421 Approved
0.7143 Intermediate Similarity NPD1420 Approved
0.7143 Intermediate Similarity NPD6111 Discontinued
0.7103 Intermediate Similarity NPD2245 Discovery
0.709 Intermediate Similarity NPD5283 Phase 1
0.7089 Intermediate Similarity NPD2978 Approved
0.7089 Intermediate Similarity NPD2977 Approved
0.707 Intermediate Similarity NPD6385 Approved
0.707 Intermediate Similarity NPD6873 Phase 2
0.707 Intermediate Similarity NPD6386 Approved
0.7067 Intermediate Similarity NPD4664 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD5604 Discontinued
0.7034 Intermediate Similarity NPD3144 Approved
0.7034 Intermediate Similarity NPD3145 Approved
0.7032 Intermediate Similarity NPD3639 Approved
0.7032 Intermediate Similarity NPD3641 Approved
0.7032 Intermediate Similarity NPD3640 Phase 3
0.7025 Intermediate Similarity NPD7248 Discontinued
0.7025 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1375 Discontinued
0.6986 Remote Similarity NPD2674 Phase 3
0.6981 Remote Similarity NPD5563 Clinical (unspecified phase)
0.698 Remote Similarity NPD2164 Clinical (unspecified phase)
0.6978 Remote Similarity NPD2668 Approved
0.6978 Remote Similarity NPD2667 Approved
0.6972 Remote Similarity NPD2922 Phase 1
0.6968 Remote Similarity NPD1975 Clinical (unspecified phase)
0.6959 Remote Similarity NPD4579 Clinical (unspecified phase)
0.6948 Remote Similarity NPD4357 Discontinued
0.6948 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6941 Remote Similarity NPD7090 Clinical (unspecified phase)
0.694 Remote Similarity NPD228 Approved
0.6937 Remote Similarity NPD5978 Approved
0.6937 Remote Similarity NPD5977 Approved
0.6933 Remote Similarity NPD2161 Phase 2
0.6928 Remote Similarity NPD5241 Discontinued
0.6923 Remote Similarity NPD1670 Discontinued
0.6908 Remote Similarity NPD4162 Approved
0.6908 Remote Similarity NPD3060 Approved
0.6903 Remote Similarity NPD4739 Approved
0.6883 Remote Similarity NPD7124 Phase 2
0.6879 Remote Similarity NPD3687 Approved
0.6879 Remote Similarity NPD4124 Clinical (unspecified phase)
0.6879 Remote Similarity NPD3686 Approved
0.6875 Remote Similarity NPD7018 Phase 2
0.6859 Remote Similarity NPD3647 Clinical (unspecified phase)
0.6849 Remote Similarity NPD5746 Approved
0.6831 Remote Similarity NPD2233 Approved
0.6831 Remote Similarity NPD2232 Approved
0.6831 Remote Similarity NPD2230 Approved
0.6824 Remote Similarity NPD3140 Approved
0.6824 Remote Similarity NPD3142 Approved
0.6821 Remote Similarity NPD6032 Approved
0.6821 Remote Similarity NPD3349 Phase 2
0.6812 Remote Similarity NPD3596 Phase 2
0.6805 Remote Similarity NPD6297 Approved
0.6803 Remote Similarity NPD3374 Clinical (unspecified phase)
0.68 Remote Similarity NPD7296 Approved
0.6797 Remote Similarity NPD5177 Phase 3
0.6795 Remote Similarity NPD4584 Approved
0.6786 Remote Similarity NPD5313 Approved
0.6786 Remote Similarity NPD5312 Approved
0.6786 Remote Similarity NPD6382 Discontinued
0.678 Remote Similarity NPD5582 Discontinued
0.6776 Remote Similarity NPD3656 Approved
0.6774 Remote Similarity NPD2120 Phase 2
0.677 Remote Similarity NPD5772 Approved
0.677 Remote Similarity NPD5773 Approved
0.6768 Remote Similarity NPD2042 Clinical (unspecified phase)
0.6768 Remote Similarity NPD2041 Clinical (unspecified phase)
0.6767 Remote Similarity NPD1358 Approved
0.6761 Remote Similarity NPD776 Approved
0.6759 Remote Similarity NPD7905 Discontinued
0.6757 Remote Similarity NPD3531 Approved
0.6757 Remote Similarity NPD5745 Approved
0.6757 Remote Similarity NPD3532 Approved
0.6757 Remote Similarity NPD3530 Approved
0.6753 Remote Similarity NPD4110 Phase 3
0.6753 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6753 Remote Similarity NPD5754 Discontinued
0.6743 Remote Similarity NPD5525 Clinical (unspecified phase)
0.6736 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6735 Remote Similarity NPD5163 Phase 2
0.6732 Remote Similarity NPD3655 Clinical (unspecified phase)
0.6732 Remote Similarity NPD7037 Approved
0.6732 Remote Similarity NPD1044 Clinical (unspecified phase)
0.6728 Remote Similarity NPD5353 Approved
0.6722 Remote Similarity NPD5457 Discontinued
0.6711 Remote Similarity NPD2240 Approved
0.6711 Remote Similarity NPD2239 Approved
0.6711 Remote Similarity NPD1725 Approved
0.671 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6709 Remote Similarity NPD2122 Discontinued
0.6709 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6709 Remote Similarity NPD5976 Discontinued
0.6692 Remote Similarity NPD3134 Approved
0.669 Remote Similarity NPD3447 Discontinued
0.6689 Remote Similarity NPD7119 Phase 2
0.6688 Remote Similarity NPD2654 Approved
0.6688 Remote Similarity NPD1424 Approved
0.6687 Remote Similarity NPD7028 Phase 2
0.6667 Remote Similarity NPD2594 Approved
0.6667 Remote Similarity NPD2595 Approved
0.6667 Remote Similarity NPD5295 Discontinued
0.6647 Remote Similarity NPD6851 Approved
0.6647 Remote Similarity NPD6853 Approved
0.6645 Remote Similarity NPD4108 Discontinued
0.6645 Remote Similarity NPD5481 Discontinued
0.6645 Remote Similarity NPD6331 Phase 2
0.6644 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6644 Remote Similarity NPD6584 Phase 3
0.6629 Remote Similarity NPD6493 Phase 3
0.6629 Remote Similarity NPD7243 Clinical (unspecified phase)
0.6628 Remote Similarity NPD7132 Clinical (unspecified phase)
0.6627 Remote Similarity NPD6107 Approved
0.6626 Remote Similarity NPD2563 Approved
0.6626 Remote Similarity NPD2560 Approved
0.6625 Remote Similarity NPD4017 Approved
0.6625 Remote Similarity NPD7261 Clinical (unspecified phase)
0.6623 Remote Similarity NPD7153 Discontinued
0.6611 Remote Similarity NPD4420 Approved
0.6607 Remote Similarity NPD6365 Clinical (unspecified phase)
0.6607 Remote Similarity NPD4481 Phase 3
0.6605 Remote Similarity NPD3384 Approved
0.6605 Remote Similarity NPD3383 Approved
0.6605 Remote Similarity NPD3382 Approved
0.6604 Remote Similarity NPD4727 Phase 1
0.6604 Remote Similarity NPD6031 Approved
0.6604 Remote Similarity NPD7131 Phase 3
0.6604 Remote Similarity NPD6030 Approved
0.6601 Remote Similarity NPD4477 Approved
0.6601 Remote Similarity NPD4476 Approved
0.66 Remote Similarity NPD3109 Approved
0.66 Remote Similarity NPD3110 Approved
0.6599 Remote Similarity NPD2237 Approved
0.6599 Remote Similarity NPD9494 Approved
0.6597 Remote Similarity NPD2981 Phase 2
0.6596 Remote Similarity NPD6581 Approved
0.6596 Remote Similarity NPD2486 Discontinued
0.6596 Remote Similarity NPD6580 Approved
0.6585 Remote Similarity NPD5019 Clinical (unspecified phase)
0.6582 Remote Similarity NPD4123 Phase 3
0.6582 Remote Similarity NPD1771 Clinical (unspecified phase)
0.6577 Remote Similarity NPD5109 Approved
0.6577 Remote Similarity NPD5111 Phase 2
0.6577 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6577 Remote Similarity NPD5110 Phase 2
0.6577 Remote Similarity NPD1336 Approved
0.6575 Remote Similarity NPD1818 Approved
0.6575 Remote Similarity NPD1820 Approved
0.6575 Remote Similarity NPD1817 Approved
0.6575 Remote Similarity NPD1819 Approved
0.6573 Remote Similarity NPD155 Clinical (unspecified phase)
0.6573 Remote Similarity NPD3847 Discontinued
0.6566 Remote Similarity NPD5677 Discontinued
0.6558 Remote Similarity NPD5865 Clinical (unspecified phase)
0.6554 Remote Similarity NPD4207 Discontinued
0.6554 Remote Similarity NPD2614 Approved
0.6552 Remote Similarity NPD2982 Phase 2
0.6552 Remote Similarity NPD3685 Discontinued
0.6552 Remote Similarity NPD1669 Approved
0.6552 Remote Similarity NPD2983 Phase 2

Structure

External Identifiers

PubChem CID   50994146
ChEMBL   CHEMBL1669574
ZINC  

Physicochemical Properties

Molecular Weight:  355.21
ALogP:  -0.3291
MLogP:  3.44
XLogP:  5.746
# Rotatable Bonds:  10
Polar Surface Area:  38.77
# H-Bond Aceptor:  2
# H-Bond Donor:  0
# Rings:  3
# Heavy Atoms:  26

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