Natural Product: NPC275837

Natural Product ID:  NPC275837
Common Name:   Sumalarin B
IUPAC Name:   2-acetyloxyethyl (2S)-2-acetyloxy-3-[[(5S,9S)-13,15-dihydroxy-5-methyl-3,11-dioxo-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-9-yl]sulfanyl]propanoate
Synonyms:  
Molecular Formula:   C25H32O11S
Standard InCHIKey:  QDQXSVXGAZHQLE-OSGPJOMKSA-N
Standard InCHI:  InChI=1S/C25H32O11S/c1-14-5-4-6-19(37-13-22(36-16(3)27)25(32)34-8-7-33-15(2)26)12-21(30)24-17(10-23(31)35-14)9-18(28)11-20(24)29/h9,11,14,19,22,28-29H,4-8,10,12-13H2,1-3H3/t14-,19-,22+/m0/s1
Canonical SMILES:  CC(=O)O[C@@H](C(=O)OCCOC(=O)C)CS[C@H]1CCC[C@H](C)OC(=O)Cc2c(C(=O)C1)c(O)cc(c2)O
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
NPO33114 penicillium sumatrense ma-92 Species Aspergillaceae Eukaryota rhizosphere of the mangrove Lumnitzera racemosa PMID[24195466]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT90 Cell Line DU-145 Homo sapiens IC50 = 7000 nM 24900349
NPT165 Cell Line HeLa Homo sapiens IC50 = 8000 nM 22437114
NPT1312 Cell Line SW1990 Homo sapiens IC50 = 11000 nM 12828457
NPT2 Others Unspecified IC50 = 6800 nM 12502320
NPT83 Cell Line MCF7 Homo sapiens IC50 = 4700 nM 24485782
NPT397 Cell Line NCI-H460 Homo sapiens IC50 = 4600 nM 21846091
NPT1229 Cell Line Huh-7 Homo sapiens IC50 = 5500 nM 18358571

  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 NPC275837 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
0.973 High Similarity NPC55092
0.9662 High Similarity NPC213224
0.8926 High Similarity NPC354984
0.8904 High Similarity NPC474771
0.8904 High Similarity NPC65837
0.8904 High Similarity NPC149372
0.8904 High Similarity NPC474849
0.8904 High Similarity NPC178467
0.8844 High Similarity NPC475974
0.8716 High Similarity NPC472403
0.8716 High Similarity NPC9121
0.8716 High Similarity NPC177307
0.8667 High Similarity NPC313123
0.8667 High Similarity NPC478217
0.8658 High Similarity NPC474655
0.8591 High Similarity NPC191835
0.8553 High Similarity NPC478202
0.8543 High Similarity NPC472035
0.8543 High Similarity NPC478201
0.8543 High Similarity NPC244923
0.8523 High Similarity NPC71256
0.8523 High Similarity NPC70380
0.8467 Intermediate Similarity NPC212693
0.8467 Intermediate Similarity NPC33144
0.8467 Intermediate Similarity NPC478200
0.8467 Intermediate Similarity NPC94248
0.8411 Intermediate Similarity NPC52358
0.8408 Intermediate Similarity NPC56204
0.8377 Intermediate Similarity NPC126882
0.8377 Intermediate Similarity NPC478203
0.8377 Intermediate Similarity NPC210966
0.8355 Intermediate Similarity NPC158472
0.8344 Intermediate Similarity NPC472602
0.8333 Intermediate Similarity NPC210320
0.8323 Intermediate Similarity NPC257558
0.8323 Intermediate Similarity NPC472034
0.8313 Intermediate Similarity NPC478221
0.8312 Intermediate Similarity NPC472006
0.8302 Intermediate Similarity NPC478224
0.8301 Intermediate Similarity NPC53649
0.8301 Intermediate Similarity NPC472603
0.8301 Intermediate Similarity NPC67650
0.8301 Intermediate Similarity NPC1704
0.8299 Intermediate Similarity NPC17840
0.8299 Intermediate Similarity NPC247477
0.8293 Intermediate Similarity NPC34910
0.8293 Intermediate Similarity NPC477677
0.8293 Intermediate Similarity NPC264756
0.8291 Intermediate Similarity NPC472891
0.8289 Intermediate Similarity NPC139634
0.8289 Intermediate Similarity NPC105456
0.8288 Intermediate Similarity NPC41263
0.828 Intermediate Similarity NPC73411
0.828 Intermediate Similarity NPC215711
0.8278 Intermediate Similarity NPC194579
0.8269 Intermediate Similarity NPC472033
0.8269 Intermediate Similarity NPC473023
0.8255 Intermediate Similarity NPC153783
0.825 Intermediate Similarity NPC137301
0.825 Intermediate Similarity NPC478231
0.8235 Intermediate Similarity NPC472600
0.8235 Intermediate Similarity NPC472601
0.8217 Intermediate Similarity NPC472036
0.8217 Intermediate Similarity NPC14098
0.8212 Intermediate Similarity NPC235115
0.821 Intermediate Similarity NPC472889
0.8205 Intermediate Similarity NPC83272
0.8199 Intermediate Similarity NPC478230
0.8199 Intermediate Similarity NPC317585
0.8199 Intermediate Similarity NPC472890
0.8199 Intermediate Similarity NPC69043
0.8199 Intermediate Similarity NPC208173
0.8199 Intermediate Similarity NPC170189
0.8199 Intermediate Similarity NPC99381
0.8194 Intermediate Similarity NPC159721
0.8194 Intermediate Similarity NPC51106
0.8187 Intermediate Similarity NPC115249
0.8187 Intermediate Similarity NPC76041
0.8187 Intermediate Similarity NPC184284
0.8182 Intermediate Similarity NPC472604
0.8182 Intermediate Similarity NPC158634
0.8182 Intermediate Similarity NPC472605
0.8176 Intermediate Similarity NPC164762
0.8176 Intermediate Similarity NPC60413
0.817 Intermediate Similarity NPC268052
0.817 Intermediate Similarity NPC32360
0.817 Intermediate Similarity NPC92655
0.8165 Intermediate Similarity NPC240253
0.8165 Intermediate Similarity NPC240622
0.8165 Intermediate Similarity NPC471642
0.8165 Intermediate Similarity NPC221352
0.8165 Intermediate Similarity NPC471641
0.8153 Intermediate Similarity NPC107625
0.8151 Intermediate Similarity NPC473691
0.8141 Intermediate Similarity NPC151607
0.8141 Intermediate Similarity NPC42540
0.8141 Intermediate Similarity NPC277426
0.8141 Intermediate Similarity NPC210425
0.8141 Intermediate Similarity NPC86373
0.8141 Intermediate Similarity NPC280404
0.8137 Intermediate Similarity NPC472211
0.8133 Intermediate Similarity NPC48036
0.8133 Intermediate Similarity NPC37299
0.8133 Intermediate Similarity NPC180261
0.8129 Intermediate Similarity NPC474385
0.8125 Intermediate Similarity NPC215921
0.8125 Intermediate Similarity NPC200773
0.8125 Intermediate Similarity NPC240768
0.8125 Intermediate Similarity NPC91809
0.8125 Intermediate Similarity NPC70016
0.8121 Intermediate Similarity NPC219892
0.8121 Intermediate Similarity NPC189823
0.8113 Intermediate Similarity NPC84142
0.8113 Intermediate Similarity NPC6923
0.811 Intermediate Similarity NPC284918
0.8098 Intermediate Similarity NPC246466
0.8098 Intermediate Similarity NPC478225
0.8098 Intermediate Similarity NPC478226
0.8089 Intermediate Similarity NPC312789
0.8082 Intermediate Similarity NPC201728
0.8082 Intermediate Similarity NPC262671
0.8082 Intermediate Similarity NPC477454
0.8077 Intermediate Similarity NPC472610
0.8077 Intermediate Similarity NPC469542
0.8077 Intermediate Similarity NPC471731
0.8065 Intermediate Similarity NPC37530
0.8065 Intermediate Similarity NPC475730
0.8063 Intermediate Similarity NPC475407
0.8063 Intermediate Similarity NPC469619
0.8063 Intermediate Similarity NPC469670
0.8052 Intermediate Similarity NPC88269
0.8052 Intermediate Similarity NPC247409
0.8039 Intermediate Similarity NPC135837
0.8026 Intermediate Similarity NPC278375
0.8026 Intermediate Similarity NPC27407
0.8013 Intermediate Similarity NPC82913
0.8013 Intermediate Similarity NPC43627
0.8013 Intermediate Similarity NPC469579
0.8013 Intermediate Similarity NPC471733
0.8012 Intermediate Similarity NPC205918
0.8 Intermediate Similarity NPC44378
0.8 Intermediate Similarity NPC99441
0.8 Intermediate Similarity NPC243701
0.8 Intermediate Similarity NPC4423
0.8 Intermediate Similarity NPC280753
0.8 Intermediate Similarity NPC476684
0.8 Intermediate Similarity NPC155205
0.8 Intermediate Similarity NPC77325
0.8 Intermediate Similarity NPC198249
0.8 Intermediate Similarity NPC198927
0.8 Intermediate Similarity NPC120171
0.7987 Intermediate Similarity NPC166583
0.7987 Intermediate Similarity NPC53362
0.7975 Intermediate Similarity NPC79998
0.7975 Intermediate Similarity NPC473692
0.7974 Intermediate Similarity NPC158481
0.7962 Intermediate Similarity NPC471643
0.7962 Intermediate Similarity NPC471639
0.7961 Intermediate Similarity NPC175943
0.7961 Intermediate Similarity NPC474097
0.7961 Intermediate Similarity NPC474519
0.7961 Intermediate Similarity NPC474394
0.7952 Intermediate Similarity NPC317544
0.7947 Intermediate Similarity NPC478190
0.7947 Intermediate Similarity NPC476389
0.7937 Intermediate Similarity NPC94781
0.7937 Intermediate Similarity NPC153417
0.7935 Intermediate Similarity NPC162939
0.7935 Intermediate Similarity NPC275356
0.7933 Intermediate Similarity NPC259942
0.7927 Intermediate Similarity NPC472050
0.7925 Intermediate Similarity NPC237208
0.7925 Intermediate Similarity NPC51513
0.7925 Intermediate Similarity NPC202112
0.7914 Intermediate Similarity NPC471695
0.7908 Intermediate Similarity NPC290803
0.7908 Intermediate Similarity NPC180905
0.7908 Intermediate Similarity NPC182496
0.7908 Intermediate Similarity NPC142027
0.7898 Intermediate Similarity NPC471644
0.7898 Intermediate Similarity NPC250755
0.7898 Intermediate Similarity NPC471640
0.7892 Intermediate Similarity NPC472055
0.7888 Intermediate Similarity NPC270160
0.7888 Intermediate Similarity NPC237440
0.7885 Intermediate Similarity NPC64664
0.7879 Intermediate Similarity NPC473395
0.7879 Intermediate Similarity NPC257309
0.7875 Intermediate Similarity NPC471734
0.7871 Intermediate Similarity NPC221104
0.787 Intermediate Similarity NPC20237
0.7867 Intermediate Similarity NPC92624
0.7866 Intermediate Similarity NPC82592
0.7866 Intermediate Similarity NPC471456
0.7866 Intermediate Similarity NPC16082
0.7862 Intermediate Similarity NPC29577
0.7862 Intermediate Similarity NPC134621
0.7857 Intermediate Similarity NPC474726
0.7857 Intermediate Similarity NPC50455
0.7857 Intermediate Similarity NPC249181

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC275837 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
0.7879 Intermediate Similarity NPD7075 Discontinued
0.7821 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7697 Intermediate Similarity NPD7819 Suspended
0.764 Intermediate Similarity NPD2533 Approved
0.764 Intermediate Similarity NPD2532 Approved
0.764 Intermediate Similarity NPD2534 Approved
0.7586 Intermediate Similarity NPD5953 Discontinued
0.7582 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7578 Intermediate Similarity NPD6799 Approved
0.7545 Intermediate Similarity NPD3817 Phase 2
0.753 Intermediate Similarity NPD6801 Discontinued
0.7516 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD6599 Discontinued
0.7471 Intermediate Similarity NPD7286 Phase 2
0.7457 Intermediate Similarity NPD7473 Discontinued
0.744 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7396 Intermediate Similarity NPD3882 Suspended
0.7384 Intermediate Similarity NPD6232 Discontinued
0.7365 Intermediate Similarity NPD7411 Suspended
0.7362 Intermediate Similarity NPD7390 Discontinued
0.7325 Intermediate Similarity NPD230 Phase 1
0.7321 Intermediate Similarity NPD1934 Approved
0.7317 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7305 Intermediate Similarity NPD4380 Phase 2
0.7299 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7299 Intermediate Similarity NPD6166 Phase 2
0.7299 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7261 Intermediate Similarity NPD943 Approved
0.7247 Intermediate Similarity NPD7251 Discontinued
0.7235 Intermediate Similarity NPD5402 Approved
0.7229 Intermediate Similarity NPD5403 Approved
0.7225 Intermediate Similarity NPD6959 Discontinued
0.7207 Intermediate Similarity NPD7808 Phase 3
0.7207 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7191 Intermediate Similarity NPD6797 Phase 2
0.7188 Intermediate Similarity NPD1510 Phase 2
0.7184 Intermediate Similarity NPD7229 Phase 3
0.7174 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD1549 Phase 2
0.7152 Intermediate Similarity NPD1240 Approved
0.7151 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD7074 Phase 3
0.7108 Intermediate Similarity NPD5401 Approved
0.7079 Intermediate Similarity NPD7054 Approved
0.7076 Intermediate Similarity NPD2801 Approved
0.7073 Intermediate Similarity NPD3750 Approved
0.7066 Intermediate Similarity NPD1512 Approved
0.7063 Intermediate Similarity NPD1607 Approved
0.7049 Intermediate Similarity NPD8150 Discontinued
0.7039 Intermediate Similarity NPD7472 Approved
0.7037 Intermediate Similarity NPD5404 Approved
0.7037 Intermediate Similarity NPD5408 Approved
0.7037 Intermediate Similarity NPD5405 Approved
0.7037 Intermediate Similarity NPD5406 Approved
0.7037 Intermediate Similarity NPD2796 Approved
0.703 Intermediate Similarity NPD6190 Approved
0.7022 Intermediate Similarity NPD3818 Discontinued
0.7012 Intermediate Similarity NPD1652 Phase 2
0.7011 Intermediate Similarity NPD919 Approved
0.7 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.6994 Remote Similarity NPD7768 Phase 2
0.6989 Remote Similarity NPD5711 Approved
0.6989 Remote Similarity NPD5710 Approved
0.6983 Remote Similarity NPD5844 Phase 1
0.6981 Remote Similarity NPD4248 Discontinued
0.697 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6957 Remote Similarity NPD6651 Approved
0.6954 Remote Similarity NPD3749 Approved
0.6954 Remote Similarity NPD9545 Approved
0.6948 Remote Similarity NPD9269 Phase 2
0.6946 Remote Similarity NPD1511 Approved
0.6941 Remote Similarity NPD3226 Approved
0.6933 Remote Similarity NPD2935 Discontinued
0.6918 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6909 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6908 Remote Similarity NPD9268 Approved
0.6905 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6883 Remote Similarity NPD1201 Approved
0.6879 Remote Similarity NPD1465 Phase 2
0.6868 Remote Similarity NPD6559 Discontinued
0.6867 Remote Similarity NPD4628 Phase 3
0.6854 Remote Similarity NPD7184 Clinical (unspecified phase)
0.6836 Remote Similarity NPD1247 Approved
0.6829 Remote Similarity NPD1551 Phase 2
0.6821 Remote Similarity NPD9493 Approved
0.6815 Remote Similarity NPD1470 Approved
0.6807 Remote Similarity NPD2800 Approved
0.6804 Remote Similarity NPD7435 Discontinued
0.679 Remote Similarity NPD4340 Discontinued
0.678 Remote Similarity NPD5494 Approved
0.6769 Remote Similarity NPD8319 Approved
0.6769 Remote Similarity NPD8320 Phase 1
0.6768 Remote Similarity NPD3748 Approved
0.6766 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6765 Remote Similarity NPD5049 Phase 3
0.676 Remote Similarity NPD3926 Phase 2
0.6727 Remote Similarity NPD6100 Approved
0.6727 Remote Similarity NPD6099 Approved
0.6725 Remote Similarity NPD6980 Clinical (unspecified phase)
0.6724 Remote Similarity NPD37 Approved
0.6723 Remote Similarity NPD6234 Discontinued
0.6711 Remote Similarity NPD405 Clinical (unspecified phase)
0.6709 Remote Similarity NPD1164 Approved
0.6708 Remote Similarity NPD3764 Approved
0.6707 Remote Similarity NPD1243 Approved
0.6706 Remote Similarity NPD7422 Clinical (unspecified phase)
0.6705 Remote Similarity NPD4965 Approved
0.6705 Remote Similarity NPD4967 Phase 2
0.6705 Remote Similarity NPD4966 Approved
0.6702 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6687 Remote Similarity NPD6355 Discontinued
0.6685 Remote Similarity NPD6764 Approved
0.6685 Remote Similarity NPD6765 Approved
0.6684 Remote Similarity NPD8434 Phase 2
0.6667 Remote Similarity NPD6971 Discontinued
0.6649 Remote Similarity NPD6534 Approved
0.6649 Remote Similarity NPD7501 Clinical (unspecified phase)
0.6649 Remote Similarity NPD6535 Approved
0.6648 Remote Similarity NPD3751 Discontinued
0.6648 Remote Similarity NPD7199 Phase 2
0.6633 Remote Similarity NPD8151 Discontinued
0.6632 Remote Similarity NPD7700 Phase 2
0.6632 Remote Similarity NPD7699 Phase 2
0.6631 Remote Similarity NPD8055 Clinical (unspecified phase)
0.663 Remote Similarity NPD2403 Approved
0.6628 Remote Similarity NPD920 Approved
0.6626 Remote Similarity NPD4060 Phase 1
0.6622 Remote Similarity NPD74 Approved
0.6622 Remote Similarity NPD9266 Approved
0.6613 Remote Similarity NPD8312 Approved
0.6613 Remote Similarity NPD8313 Approved
0.6611 Remote Similarity NPD3787 Discontinued
0.6607 Remote Similarity NPD5698 Clinical (unspecified phase)
0.66 Remote Similarity NPD7874 Approved
0.66 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6588 Remote Similarity NPD3300 Phase 2
0.6588 Remote Similarity NPD643 Clinical (unspecified phase)
0.6588 Remote Similarity NPD7440 Discontinued
0.6585 Remote Similarity NPD447 Suspended
0.6584 Remote Similarity NPD6832 Phase 2
0.6581 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6566 Remote Similarity NPD7211 Clinical (unspecified phase)
0.6566 Remote Similarity NPD2799 Discontinued
0.6564 Remote Similarity NPD6781 Approved
0.6564 Remote Similarity NPD6776 Approved
0.6564 Remote Similarity NPD6777 Approved
0.6564 Remote Similarity NPD6778 Approved
0.6564 Remote Similarity NPD6779 Approved
0.6564 Remote Similarity NPD6663 Approved
0.6564 Remote Similarity NPD6780 Approved
0.6564 Remote Similarity NPD6782 Approved
0.6562 Remote Similarity NPD5740 Clinical (unspecified phase)
0.6562 Remote Similarity NPD6085 Phase 2
0.6557 Remote Similarity NPD7228 Approved
0.6554 Remote Similarity NPD9263 Approved
0.6554 Remote Similarity NPD9267 Approved
0.6554 Remote Similarity NPD9264 Approved
0.6554 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6548 Remote Similarity NPD7696 Phase 3
0.6548 Remote Similarity NPD7680 Approved
0.6548 Remote Similarity NPD7698 Approved
0.6548 Remote Similarity NPD7697 Approved
0.6538 Remote Similarity NPD7784 Clinical (unspecified phase)
0.6536 Remote Similarity NPD5537 Clinical (unspecified phase)
0.6527 Remote Similarity NPD2531 Phase 2
0.6522 Remote Similarity NPD5736 Approved
0.6519 Remote Similarity NPD9717 Approved
0.6515 Remote Similarity NPD7871 Phase 2
0.6515 Remote Similarity NPD7870 Phase 2
0.6512 Remote Similarity NPD642 Clinical (unspecified phase)
0.6509 Remote Similarity NPD2654 Approved
0.6503 Remote Similarity NPD6798 Discontinued
0.6503 Remote Similarity NPD3268 Approved
0.6488 Remote Similarity NPD2346 Discontinued
0.6471 Remote Similarity NPD8166 Discontinued
0.6467 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6463 Remote Similarity NPD4062 Phase 3
0.6461 Remote Similarity NPD5353 Approved
0.6457 Remote Similarity NPD7458 Discontinued
0.6453 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6424 Remote Similarity NPD468 Phase 1
0.6424 Remote Similarity NPD7966 Clinical (unspecified phase)
0.6418 Remote Similarity NPD7701 Phase 2
0.6416 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6402 Remote Similarity NPD411 Approved
0.6398 Remote Similarity NPD1203 Approved
0.6391 Remote Similarity NPD5763 Approved
0.6391 Remote Similarity NPD1471 Phase 3
0.6391 Remote Similarity NPD7266 Discontinued
0.6391 Remote Similarity NPD5762 Approved
0.6391 Remote Similarity NPD2344 Approved
0.6387 Remote Similarity NPD6841 Approved

Structure

External Identifiers

PubChem CID   72945490
ChEMBL   CHEMBL3087768
ZINC  

Physicochemical Properties

Molecular Weight:  540.17
ALogP:  -1.9046
MLogP:  2.89
XLogP:  1.789
# Rotatable Bonds:  16
Polar Surface Area:  188.03
# H-Bond Aceptor:  9
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  37

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs