Drug Information

Drug ID:  NPD2915
Drug Name:  vinconate
Molecular Formula:  C18H20N2O2
Canonical SMILES:  CCN1CCc2c3C1CC=C(n3c1c2cccc1)C(=O)OC
Standard InCHI:  InChI=1S/C18H20N2O2/c1-3-19-11-10-13-12-6-4-5-7-14(12)20-16(18(21)22-2)9-8-15(19)17(13)20/h4-7,9,15H,3,8,10-11H2,1-2H3
Standard InCHIKey:  JWOSSISWAJNJIA-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD2915

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
Intermediate Similarity 0.8466 NPC470509
Intermediate Similarity 0.8443 NPC14325
Intermediate Similarity 0.8443 NPC28848
Intermediate Similarity 0.825 NPC281094
Intermediate Similarity 0.8246 NPC143533
Intermediate Similarity 0.8165 NPC478186
Intermediate Similarity 0.8121 NPC478182
Intermediate Similarity 0.8103 NPC311858
Intermediate Similarity 0.8089 NPC20144
Intermediate Similarity 0.8077 NPC238499
Intermediate Similarity 0.807 NPC12649
Intermediate Similarity 0.8036 NPC65080
Intermediate Similarity 0.8013 NPC104483
Intermediate Similarity 0.7989 NPC19692
Intermediate Similarity 0.7989 NPC220151
Intermediate Similarity 0.7944 NPC472116
Intermediate Similarity 0.7944 NPC245916
Intermediate Similarity 0.7939 NPC293487
Intermediate Similarity 0.7921 NPC129909
Intermediate Similarity 0.7919 NPC469896
Intermediate Similarity 0.7911 NPC277157
Intermediate Similarity 0.791 NPC63199
Intermediate Similarity 0.791 NPC196251
Intermediate Similarity 0.791 NPC111602
Intermediate Similarity 0.791 NPC102338
Intermediate Similarity 0.7886 NPC470003
Intermediate Similarity 0.7879 NPC299594
Intermediate Similarity 0.7833 NPC198673
Intermediate Similarity 0.7811 NPC478183
Intermediate Similarity 0.7803 NPC234987
Intermediate Similarity 0.779 NPC289299
Intermediate Similarity 0.779 NPC57994
Intermediate Similarity 0.7784 NPC255229
Intermediate Similarity 0.7784 NPC81229
Intermediate Similarity 0.7764 NPC470440
Intermediate Similarity 0.776 NPC168911
Intermediate Similarity 0.7738 NPC478185
Intermediate Similarity 0.7738 NPC194881
Intermediate Similarity 0.773 NPC37548
Intermediate Similarity 0.7727 NPC472104
Intermediate Similarity 0.7719 NPC32534
Intermediate Similarity 0.7714 NPC24864
Intermediate Similarity 0.7709 NPC61435
Intermediate Similarity 0.7692 NPC271734
Intermediate Similarity 0.7692 NPC478184
Intermediate Similarity 0.7684 NPC258480
Intermediate Similarity 0.7684 NPC472119
Intermediate Similarity 0.7673 NPC88097
Intermediate Similarity 0.7663 NPC239954
Intermediate Similarity 0.7651 NPC470507
Intermediate Similarity 0.7644 NPC134586
Intermediate Similarity 0.7643 NPC198988
Intermediate Similarity 0.763 NPC161861
Intermediate Similarity 0.7622 NPC187951
Intermediate Similarity 0.7622 NPC192674
Intermediate Similarity 0.7616 NPC91895
Intermediate Similarity 0.76 NPC326575
Intermediate Similarity 0.76 NPC211997
Intermediate Similarity 0.7598 NPC66210
Intermediate Similarity 0.7595 NPC325252
Intermediate Similarity 0.7593 NPC242556
Intermediate Similarity 0.7588 NPC271797
Intermediate Similarity 0.7588 NPC8104
Intermediate Similarity 0.7588 NPC21174
Intermediate Similarity 0.7586 NPC469938
Intermediate Similarity 0.7581 NPC254240
Intermediate Similarity 0.7581 NPC128265
Intermediate Similarity 0.7581 NPC312870
Intermediate Similarity 0.7581 NPC199851
Intermediate Similarity 0.7581 NPC294909
Intermediate Similarity 0.7576 NPC40070
Intermediate Similarity 0.7571 NPC113626
Intermediate Similarity 0.7557 NPC219336
Intermediate Similarity 0.7554 NPC79356
Intermediate Similarity 0.7554 NPC102592
Intermediate Similarity 0.7545 NPC38736
Intermediate Similarity 0.7542 NPC280290
Intermediate Similarity 0.75 NPC15573
Intermediate Similarity 0.75 NPC217372
Intermediate Similarity 0.75 NPC183662
Intermediate Similarity 0.7473 NPC212213
Intermediate Similarity 0.7469 NPC473868
Intermediate Similarity 0.7469 NPC63157
Intermediate Similarity 0.7459 NPC472323
Intermediate Similarity 0.7458 NPC133261
Intermediate Similarity 0.7444 NPC133003
Intermediate Similarity 0.7443 NPC472122
Intermediate Similarity 0.7443 NPC24594
Intermediate Similarity 0.744 NPC471458
Intermediate Similarity 0.7439 NPC469525
Intermediate Similarity 0.7432 NPC472097
Intermediate Similarity 0.7418 NPC175474
Intermediate Similarity 0.7416 NPC91179
Intermediate Similarity 0.7416 NPC73994
Intermediate Similarity 0.7416 NPC15840
Intermediate Similarity 0.7412 NPC475990
Intermediate Similarity 0.741 NPC124005
Intermediate Similarity 0.7407 NPC59084
Intermediate Similarity 0.7407 NPC2949
Intermediate Similarity 0.7396 NPC287208
Intermediate Similarity 0.7396 NPC51054
Intermediate Similarity 0.7391 NPC472292
Intermediate Similarity 0.7389 NPC22079
Intermediate Similarity 0.7384 NPC469541
Intermediate Similarity 0.7382 NPC238457
Intermediate Similarity 0.7377 NPC314333
Intermediate Similarity 0.7377 NPC472112
Intermediate Similarity 0.7371 NPC158129
Intermediate Similarity 0.7366 NPC472293
Intermediate Similarity 0.736 NPC276540
Intermediate Similarity 0.736 NPC11126
Intermediate Similarity 0.736 NPC233050
Intermediate Similarity 0.7351 NPC472295
Intermediate Similarity 0.7351 NPC269886
Intermediate Similarity 0.7351 NPC472210
Intermediate Similarity 0.7351 NPC247735
Intermediate Similarity 0.7351 NPC81802
Intermediate Similarity 0.7349 NPC21605
Intermediate Similarity 0.7348 NPC79062
Intermediate Similarity 0.7348 NPC472107
Intermediate Similarity 0.7347 NPC477979
Intermediate Similarity 0.7345 NPC84347
Intermediate Similarity 0.7337 NPC476219
Intermediate Similarity 0.7333 NPC81561
Intermediate Similarity 0.7333 NPC159125
Intermediate Similarity 0.7333 NPC470205
Intermediate Similarity 0.7329 NPC314102
Intermediate Similarity 0.7329 NPC251722
Intermediate Similarity 0.7329 NPC150259
Intermediate Similarity 0.7326 NPC469736
Intermediate Similarity 0.7318 NPC187827
Intermediate Similarity 0.7318 NPC472105
Intermediate Similarity 0.7316 NPC295898
Intermediate Similarity 0.7316 NPC57398
Intermediate Similarity 0.731 NPC6436
Intermediate Similarity 0.7308 NPC478077
Intermediate Similarity 0.7306 NPC266249
Intermediate Similarity 0.7303 NPC145885
Intermediate Similarity 0.7303 NPC84827
Intermediate Similarity 0.7303 NPC14113
Intermediate Similarity 0.7297 NPC472113
Intermediate Similarity 0.7297 NPC55493
Intermediate Similarity 0.7294 NPC285469
Intermediate Similarity 0.7293 NPC228835
Intermediate Similarity 0.7289 NPC129042
Intermediate Similarity 0.7278 NPC243381
Intermediate Similarity 0.7278 NPC275292
Intermediate Similarity 0.7273 NPC6982
Intermediate Similarity 0.7267 NPC148140
Intermediate Similarity 0.7267 NPC473320
Intermediate Similarity 0.7267 NPC218268
Intermediate Similarity 0.7262 NPC33421
Intermediate Similarity 0.7257 NPC317430
Intermediate Similarity 0.7249 NPC472297
Intermediate Similarity 0.7249 NPC81535
Intermediate Similarity 0.7249 NPC472296
Intermediate Similarity 0.7246 NPC477974
Intermediate Similarity 0.7246 NPC470111
Intermediate Similarity 0.7245 NPC118940
Intermediate Similarity 0.724 NPC132539
Intermediate Similarity 0.7238 NPC472110
Intermediate Similarity 0.7238 NPC472109
Intermediate Similarity 0.7235 NPC476297
Intermediate Similarity 0.7232 NPC472123
Intermediate Similarity 0.7231 NPC123839
Intermediate Similarity 0.7229 NPC204141
Intermediate Similarity 0.7209 NPC221786
Intermediate Similarity 0.7209 NPC474880
Intermediate Similarity 0.7207 NPC83774
Intermediate Similarity 0.72 NPC56233
Intermediate Similarity 0.7198 NPC21429
Intermediate Similarity 0.7198 NPC284678
Intermediate Similarity 0.7196 NPC474916
Intermediate Similarity 0.7195 NPC115611
Intermediate Similarity 0.7193 NPC184476
Intermediate Similarity 0.7189 NPC329858
Intermediate Similarity 0.7189 NPC324091
Intermediate Similarity 0.7184 NPC472587
Intermediate Similarity 0.7179 NPC477548
Intermediate Similarity 0.7175 NPC126492
Intermediate Similarity 0.7173 NPC471944
Intermediate Similarity 0.7171 NPC54102
Intermediate Similarity 0.7171 NPC162689
Intermediate Similarity 0.7168 NPC322644
Intermediate Similarity 0.7168 NPC229173
Intermediate Similarity 0.716 NPC105818
Intermediate Similarity 0.716 NPC24678
Intermediate Similarity 0.7158 NPC282103
Intermediate Similarity 0.7151 NPC121903
Intermediate Similarity 0.7151 NPC473763
Intermediate Similarity 0.7151 NPC129721
Intermediate Similarity 0.7151 NPC117244
Intermediate Similarity 0.7143 NPC2165
Intermediate Similarity 0.7143 NPC139291
Intermediate Similarity 0.7143 NPC195507
Intermediate Similarity 0.7143 NPC472108
Intermediate Similarity 0.7135 NPC34508
Intermediate Similarity 0.7135 NPC207726
Intermediate Similarity 0.7128 NPC82548
Intermediate Similarity 0.7127 NPC16659

Drug Structure

External Identifiers

TTD   DIB011336
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  296.15
ALogP  0.8837
MLogP  3
XLogP  3.97
HDA  4
HBD  0
Rotatable Bonds  5
TPSA  34.47
RO5 Violation  0