Drug Information

Drug ID:  NPD287
Drug Name:  (1S)-(-)-Verbenone
Molecular Formula:  C10H14O
Canonical SMILES:  CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
Standard InCHI:  InChI=1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1
Standard InCHIKey:  DCSCXTJOXBUFGB-JGVFFNPUSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD287

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 1.0 NPC308108
High Similarity 1.0 NPC170799
High Similarity 0.9153 NPC475124
High Similarity 0.9153 NPC6697
High Similarity 0.8727 NPC268564
High Similarity 0.8704 NPC64866
High Similarity 0.8644 NPC127582
High Similarity 0.8621 NPC311852
High Similarity 0.8525 NPC285371
High Similarity 0.85 NPC213152
Intermediate Similarity 0.8475 NPC472304
Intermediate Similarity 0.8475 NPC276764
Intermediate Similarity 0.8393 NPC23117
Intermediate Similarity 0.8305 NPC27610
Intermediate Similarity 0.8305 NPC56905
Intermediate Similarity 0.8246 NPC5626
Intermediate Similarity 0.8226 NPC212210
Intermediate Similarity 0.8182 NPC163984
Intermediate Similarity 0.8182 NPC58970
Intermediate Similarity 0.8182 NPC32351
Intermediate Similarity 0.8182 NPC176819
Intermediate Similarity 0.8167 NPC96551
Intermediate Similarity 0.8167 NPC285594
Intermediate Similarity 0.8148 NPC91962
Intermediate Similarity 0.8136 NPC115385
Intermediate Similarity 0.8095 NPC470329
Intermediate Similarity 0.8095 NPC251118
Intermediate Similarity 0.807 NPC14002
Intermediate Similarity 0.8065 NPC288253
Intermediate Similarity 0.8065 NPC165695
Intermediate Similarity 0.8 NPC188292
Intermediate Similarity 0.8 NPC260474
Intermediate Similarity 0.8 NPC310992
Intermediate Similarity 0.8 NPC87141
Intermediate Similarity 0.7937 NPC469662
Intermediate Similarity 0.7903 NPC60565
Intermediate Similarity 0.7879 NPC139397
Intermediate Similarity 0.7879 NPC256846
Intermediate Similarity 0.7846 NPC475523
Intermediate Similarity 0.7797 NPC200258
Intermediate Similarity 0.7778 NPC202118
Intermediate Similarity 0.7778 NPC197238
Intermediate Similarity 0.7761 NPC307176
Intermediate Similarity 0.7761 NPC159577
Intermediate Similarity 0.7761 NPC260040
Intermediate Similarity 0.7761 NPC251929
Intermediate Similarity 0.7761 NPC265782
Intermediate Similarity 0.7761 NPC282593
Intermediate Similarity 0.7761 NPC35734
Intermediate Similarity 0.7761 NPC2634
Intermediate Similarity 0.7727 NPC155198
Intermediate Similarity 0.7705 NPC94991
Intermediate Similarity 0.7705 NPC266295
Intermediate Similarity 0.7667 NPC473733
Intermediate Similarity 0.7647 NPC474562
Intermediate Similarity 0.7647 NPC115023
Intermediate Similarity 0.7647 NPC54123
Intermediate Similarity 0.7647 NPC190035
Intermediate Similarity 0.7593 NPC25771
Intermediate Similarity 0.7581 NPC259261
Intermediate Similarity 0.7576 NPC4370
Intermediate Similarity 0.7576 NPC290350
Intermediate Similarity 0.7544 NPC228776
Intermediate Similarity 0.7544 NPC116906
Intermediate Similarity 0.7541 NPC192427
Intermediate Similarity 0.7536 NPC470045
Intermediate Similarity 0.7536 NPC470044
Intermediate Similarity 0.7536 NPC109576
Intermediate Similarity 0.7536 NPC180015
Intermediate Similarity 0.7536 NPC56747
Intermediate Similarity 0.7536 NPC251705
Intermediate Similarity 0.7536 NPC303613
Intermediate Similarity 0.7536 NPC130016
Intermediate Similarity 0.7536 NPC474228
Intermediate Similarity 0.75 NPC32285
Intermediate Similarity 0.75 NPC246722
Intermediate Similarity 0.75 NPC151045
Intermediate Similarity 0.75 NPC472306
Intermediate Similarity 0.7463 NPC20610
Intermediate Similarity 0.7463 NPC142754
Intermediate Similarity 0.7463 NPC296697
Intermediate Similarity 0.7463 NPC39157
Intermediate Similarity 0.7463 NPC82477
Intermediate Similarity 0.746 NPC25853
Intermediate Similarity 0.7458 NPC37644
Intermediate Similarity 0.7455 NPC114239
Intermediate Similarity 0.7455 NPC13991
Intermediate Similarity 0.7455 NPC241784
Intermediate Similarity 0.7424 NPC323005
Intermediate Similarity 0.7419 NPC60772
Intermediate Similarity 0.7419 NPC30215
Intermediate Similarity 0.7414 NPC236623
Intermediate Similarity 0.7414 NPC27438
Intermediate Similarity 0.7407 NPC292463
Intermediate Similarity 0.7391 NPC5701
Intermediate Similarity 0.7391 NPC225467
Intermediate Similarity 0.7391 NPC234707
Intermediate Similarity 0.7385 NPC4638
Intermediate Similarity 0.7353 NPC286814
Intermediate Similarity 0.7353 NPC182815
Intermediate Similarity 0.7333 NPC209431
Intermediate Similarity 0.7333 NPC100809
Intermediate Similarity 0.7324 NPC65650
Intermediate Similarity 0.7324 NPC476346
Intermediate Similarity 0.7324 NPC473171
Intermediate Similarity 0.7324 NPC293803
Intermediate Similarity 0.7321 NPC4079
Intermediate Similarity 0.7321 NPC14917
Intermediate Similarity 0.7321 NPC236355
Intermediate Similarity 0.7313 NPC20181
Intermediate Similarity 0.7313 NPC220210
Intermediate Similarity 0.7288 NPC471751
Intermediate Similarity 0.7258 NPC230823
Intermediate Similarity 0.7258 NPC55004
Intermediate Similarity 0.7258 NPC49575
Intermediate Similarity 0.7258 NPC267626
Intermediate Similarity 0.7258 NPC193695
Intermediate Similarity 0.7222 NPC180886
Intermediate Similarity 0.7222 NPC69408
Intermediate Similarity 0.7222 NPC1254
Intermediate Similarity 0.7213 NPC275472
Intermediate Similarity 0.7183 NPC255021
Intermediate Similarity 0.7183 NPC474796
Intermediate Similarity 0.7183 NPC474797
Intermediate Similarity 0.7183 NPC309852
Intermediate Similarity 0.7183 NPC329866
Intermediate Similarity 0.7167 NPC69898
Intermediate Similarity 0.7167 NPC295777
Intermediate Similarity 0.7167 NPC474141
Intermediate Similarity 0.7167 NPC45283
Intermediate Similarity 0.7167 NPC296311
Intermediate Similarity 0.7164 NPC92327
Intermediate Similarity 0.7164 NPC176171
Intermediate Similarity 0.7143 NPC470078
Intermediate Similarity 0.7143 NPC133253
Intermediate Similarity 0.7143 NPC21944
Intermediate Similarity 0.7143 NPC181204
Intermediate Similarity 0.7143 NPC166788
Intermediate Similarity 0.7143 NPC305501
Intermediate Similarity 0.7143 NPC304983
Intermediate Similarity 0.7123 NPC472300
Intermediate Similarity 0.7123 NPC257666
Intermediate Similarity 0.7123 NPC266193
Intermediate Similarity 0.7121 NPC473902
Intermediate Similarity 0.7101 NPC136473
Intermediate Similarity 0.7097 NPC20603
Intermediate Similarity 0.7083 NPC114236
Intermediate Similarity 0.7077 NPC475795
Intermediate Similarity 0.7077 NPC97322
Intermediate Similarity 0.7059 NPC193770
Intermediate Similarity 0.7059 NPC176107
Intermediate Similarity 0.7049 NPC202850
Intermediate Similarity 0.7049 NPC250539
Intermediate Similarity 0.7049 NPC63396
Intermediate Similarity 0.7042 NPC186042
Intermediate Similarity 0.7042 NPC474488
Intermediate Similarity 0.7042 NPC276336
Intermediate Similarity 0.7031 NPC143834
Intermediate Similarity 0.7027 NPC115515
Intermediate Similarity 0.7027 NPC275494
Intermediate Similarity 0.7027 NPC74410
Intermediate Similarity 0.7027 NPC471409
Intermediate Similarity 0.7027 NPC189485
Intermediate Similarity 0.7018 NPC262558
Intermediate Similarity 0.7018 NPC8610
Intermediate Similarity 0.7 NPC477856
Intermediate Similarity 0.7 NPC214770
Remote Similarity 0.6986 NPC263582
Remote Similarity 0.6986 NPC469796
Remote Similarity 0.6986 NPC470525
Remote Similarity 0.6986 NPC469793
Remote Similarity 0.697 NPC167256
Remote Similarity 0.6949 NPC118788
Remote Similarity 0.6944 NPC219232
Remote Similarity 0.6944 NPC128346
Remote Similarity 0.6944 NPC211641
Remote Similarity 0.6944 NPC215050
Remote Similarity 0.6944 NPC20025
Remote Similarity 0.6933 NPC170793
Remote Similarity 0.6933 NPC90965
Remote Similarity 0.6933 NPC27817
Remote Similarity 0.6923 NPC270042
Remote Similarity 0.6901 NPC223187
Remote Similarity 0.6892 NPC97377
Remote Similarity 0.6892 NPC197659
Remote Similarity 0.6892 NPC165711
Remote Similarity 0.6866 NPC52449
Remote Similarity 0.6866 NPC150162
Remote Similarity 0.6866 NPC169275
Remote Similarity 0.6857 NPC474060
Remote Similarity 0.6849 NPC255650
Remote Similarity 0.6842 NPC476809
Remote Similarity 0.6842 NPC2482
Remote Similarity 0.6842 NPC474509
Remote Similarity 0.6842 NPC108955
Remote Similarity 0.6812 NPC269985
Remote Similarity 0.6806 NPC201562
Remote Similarity 0.6806 NPC29542
Remote Similarity 0.6806 NPC153660
Remote Similarity 0.6806 NPC323437

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  150.10
ALogP  1.2447
MLogP  2.45
XLogP  1.87
HDA  1
HBD  0
Rotatable Bonds  3
TPSA  17.07
RO5 Violation  0