Drug Information

Drug ID:  NPD6674
Drug Name:  VM-301
Molecular Formula:  C26H38O6
Canonical SMILES:  COc1c(O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)c2[C@@H](C)CC[C@H]3c2c(c1C)[C@@H](C=C(C)C)C[C@@H]3C
Standard InCHI:  InChI=1S/C26H38O6/c1-12(2)9-16-10-14(4)17-8-7-13(3)19-21(17)20(16)15(5)24(30-6)25(19)32-26-23(29)22(28)18(27)11-31-26/h9,13-14,16-18,22-23,26-29H,7-8,10-11H2,1-6H3/t13-,14-,16-,17+,18+,22-,23+,26-/m0/s1
Standard InCHIKey:  URDVEWJGRGQYQT-RSORJSBDSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD6674

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.9779 NPC133251
High Similarity 0.95 NPC474856
High Similarity 0.95 NPC117788
High Similarity 0.95 NPC291326
High Similarity 0.95 NPC474834
High Similarity 0.95 NPC290902
High Similarity 0.9493 NPC164183
High Similarity 0.9433 NPC475940
High Similarity 0.9433 NPC220006
High Similarity 0.9433 NPC181452
High Similarity 0.9433 NPC474893
High Similarity 0.9366 NPC183380
High Similarity 0.9225 NPC179809
High Similarity 0.9225 NPC303013
High Similarity 0.9225 NPC474795
High Similarity 0.9225 NPC474940
High Similarity 0.9225 NPC159697
High Similarity 0.9225 NPC130959
High Similarity 0.9172 NPC475227
High Similarity 0.9172 NPC200645
High Similarity 0.9172 NPC106669
High Similarity 0.9028 NPC44452
High Similarity 0.8973 NPC474442
High Similarity 0.8944 NPC471065
High Similarity 0.8944 NPC471667
High Similarity 0.8944 NPC79429
High Similarity 0.8944 NPC217635
High Similarity 0.8944 NPC253015
High Similarity 0.8881 NPC272619
High Similarity 0.8881 NPC476301
High Similarity 0.8881 NPC43508
High Similarity 0.8881 NPC286245
High Similarity 0.8836 NPC225815
High Similarity 0.8836 NPC185955
High Similarity 0.8836 NPC214326
High Similarity 0.8836 NPC469706
High Similarity 0.8836 NPC218041
High Similarity 0.8836 NPC182368
High Similarity 0.8836 NPC9933
High Similarity 0.8836 NPC145979
High Similarity 0.8836 NPC469707
High Similarity 0.8836 NPC260781
High Similarity 0.8759 NPC213074
High Similarity 0.8759 NPC193473
High Similarity 0.8759 NPC15956
High Similarity 0.8759 NPC224674
High Similarity 0.8759 NPC31325
High Similarity 0.8759 NPC114505
High Similarity 0.8759 NPC275284
High Similarity 0.8716 NPC21902
High Similarity 0.8699 NPC270751
High Similarity 0.8636 NPC25889
High Similarity 0.8601 NPC76871
High Similarity 0.8582 NPC68292
High Similarity 0.8581 NPC98624
High Similarity 0.8581 NPC472709
High Similarity 0.8581 NPC472710
High Similarity 0.8571 NPC476411
High Similarity 0.8571 NPC187194
High Similarity 0.8552 NPC471063
High Similarity 0.8542 NPC246947
High Similarity 0.8542 NPC253878
High Similarity 0.8542 NPC60249
Intermediate Similarity 0.8483 NPC470950
Intermediate Similarity 0.8483 NPC185307
Intermediate Similarity 0.8478 NPC270849
Intermediate Similarity 0.8478 NPC26653
Intermediate Similarity 0.8472 NPC471414
Intermediate Similarity 0.8467 NPC302610
Intermediate Similarity 0.8456 NPC158784
Intermediate Similarity 0.8446 NPC95990
Intermediate Similarity 0.8435 NPC205796
Intermediate Similarity 0.8435 NPC276753
Intermediate Similarity 0.8425 NPC129417
Intermediate Similarity 0.8425 NPC283995
Intermediate Similarity 0.8425 NPC470235
Intermediate Similarity 0.8417 NPC472024
Intermediate Similarity 0.8417 NPC80600
Intermediate Similarity 0.8414 NPC476356
Intermediate Similarity 0.8411 NPC78809
Intermediate Similarity 0.8403 NPC106944
Intermediate Similarity 0.84 NPC2745
Intermediate Similarity 0.84 NPC302915
Intermediate Similarity 0.8392 NPC470413
Intermediate Similarity 0.8392 NPC138738
Intermediate Similarity 0.8378 NPC474397
Intermediate Similarity 0.8377 NPC478269
Intermediate Similarity 0.8369 NPC227719
Intermediate Similarity 0.8367 NPC279298
Intermediate Similarity 0.8367 NPC277867
Intermediate Similarity 0.8367 NPC22150
Intermediate Similarity 0.8367 NPC475096
Intermediate Similarity 0.8367 NPC161700
Intermediate Similarity 0.8367 NPC38041
Intermediate Similarity 0.8357 NPC9912
Intermediate Similarity 0.8356 NPC46092
Intermediate Similarity 0.8356 NPC113680
Intermediate Similarity 0.8356 NPC278961
Intermediate Similarity 0.8345 NPC472711
Intermediate Similarity 0.8344 NPC222531
Intermediate Similarity 0.8344 NPC325860
Intermediate Similarity 0.8344 NPC157783
Intermediate Similarity 0.8333 NPC156376
Intermediate Similarity 0.8333 NPC195561
Intermediate Similarity 0.8322 NPC177035
Intermediate Similarity 0.8322 NPC199459
Intermediate Similarity 0.8322 NPC212142
Intermediate Similarity 0.8322 NPC52277
Intermediate Similarity 0.8311 NPC99515
Intermediate Similarity 0.8311 NPC233980
Intermediate Similarity 0.8311 NPC125755
Intermediate Similarity 0.8311 NPC112861
Intermediate Similarity 0.8311 NPC190714
Intermediate Similarity 0.831 NPC16485
Intermediate Similarity 0.8299 NPC473108
Intermediate Similarity 0.8298 NPC230219
Intermediate Similarity 0.8298 NPC18842
Intermediate Similarity 0.8288 NPC186033
Intermediate Similarity 0.8288 NPC48309
Intermediate Similarity 0.8288 NPC302506
Intermediate Similarity 0.8288 NPC5262
Intermediate Similarity 0.8288 NPC472714
Intermediate Similarity 0.8273 NPC302378
Intermediate Similarity 0.8269 NPC478267
Intermediate Similarity 0.8267 NPC35877
Intermediate Similarity 0.8267 NPC55715
Intermediate Similarity 0.8267 NPC95392
Intermediate Similarity 0.8264 NPC304152
Intermediate Similarity 0.8255 NPC227902
Intermediate Similarity 0.8255 NPC39657
Intermediate Similarity 0.8252 NPC79957
Intermediate Similarity 0.8247 NPC228357
Intermediate Similarity 0.8243 NPC18979
Intermediate Similarity 0.8239 NPC215833
Intermediate Similarity 0.8239 NPC69513
Intermediate Similarity 0.8239 NPC26394
Intermediate Similarity 0.8231 NPC37793
Intermediate Similarity 0.8231 NPC472451
Intermediate Similarity 0.8231 NPC477898
Intermediate Similarity 0.8227 NPC312341
Intermediate Similarity 0.8224 NPC476452
Intermediate Similarity 0.8224 NPC160196
Intermediate Similarity 0.8219 NPC210192
Intermediate Similarity 0.8219 NPC471908
Intermediate Similarity 0.8219 NPC265075
Intermediate Similarity 0.8214 NPC248355
Intermediate Similarity 0.8214 NPC166040
Intermediate Similarity 0.8212 NPC238140
Intermediate Similarity 0.8212 NPC475224
Intermediate Similarity 0.8205 NPC1253
Intermediate Similarity 0.8205 NPC100936
Intermediate Similarity 0.8201 NPC186889
Intermediate Similarity 0.82 NPC248132
Intermediate Similarity 0.82 NPC473876
Intermediate Similarity 0.82 NPC175976
Intermediate Similarity 0.82 NPC130449
Intermediate Similarity 0.82 NPC71726
Intermediate Similarity 0.8194 NPC54743
Intermediate Similarity 0.8194 NPC10737
Intermediate Similarity 0.8194 NPC475628
Intermediate Similarity 0.8194 NPC263367
Intermediate Similarity 0.8194 NPC177160
Intermediate Similarity 0.8194 NPC209985
Intermediate Similarity 0.8194 NPC472800
Intermediate Similarity 0.8194 NPC477939
Intermediate Similarity 0.8194 NPC29799
Intermediate Similarity 0.8194 NPC156502
Intermediate Similarity 0.8188 NPC241846
Intermediate Similarity 0.8188 NPC93610
Intermediate Similarity 0.8182 NPC170779
Intermediate Similarity 0.8182 NPC35731
Intermediate Similarity 0.8182 NPC48863
Intermediate Similarity 0.8182 NPC478085
Intermediate Similarity 0.8182 NPC311256
Intermediate Similarity 0.8182 NPC90083
Intermediate Similarity 0.8182 NPC251981
Intermediate Similarity 0.8182 NPC13745
Intermediate Similarity 0.8176 NPC84181
Intermediate Similarity 0.8176 NPC179521
Intermediate Similarity 0.8176 NPC473845
Intermediate Similarity 0.8176 NPC472712
Intermediate Similarity 0.8176 NPC76176
Intermediate Similarity 0.8176 NPC168579
Intermediate Similarity 0.8176 NPC50250
Intermediate Similarity 0.8176 NPC138227
Intermediate Similarity 0.8176 NPC118385
Intermediate Similarity 0.8176 NPC472713
Intermediate Similarity 0.8176 NPC473046
Intermediate Similarity 0.8176 NPC473045
Intermediate Similarity 0.8176 NPC25292
Intermediate Similarity 0.8176 NPC469313
Intermediate Similarity 0.8176 NPC187774
Intermediate Similarity 0.817 NPC469699
Intermediate Similarity 0.8169 NPC59239
Intermediate Similarity 0.8163 NPC475084
Intermediate Similarity 0.8163 NPC469559
Intermediate Similarity 0.8163 NPC189115
Intermediate Similarity 0.8163 NPC191231
Intermediate Similarity 0.8156 NPC470727
Intermediate Similarity 0.8153 NPC115624

Drug Structure

External Identifiers

TTD   DIB012676
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  446.27
ALogP  1.2217
MLogP  3.66
XLogP  5.238
HDA  4
HBD  3
Rotatable Bonds  13
TPSA  88.38
RO5 Violation  1