Drug Information

Drug ID:  NPD345
Drug Name:  Camphor
Molecular Formula:  C10H16O
Canonical SMILES:  O=C1C[C@@H]2C([C@@]1(C)CC2)(C)C
Standard InCHI:  InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
Standard InCHIKey:  DSSYKIVIOFKYAU-XCBNKYQSSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD345

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 NPC40249
High Similarity 1.0 NPC131981
High Similarity 1.0 NPC173996
High Similarity 0.9556 NPC247786
High Similarity 0.9556 NPC293343
High Similarity 0.9556 NPC258672
High Similarity 0.9333 NPC20017
High Similarity 0.9333 NPC294440
High Similarity 0.9149 NPC274182
High Similarity 0.9111 NPC285814
High Similarity 0.9111 NPC98246
High Similarity 0.9111 NPC83187
Intermediate Similarity 0.814 NPC223315
Intermediate Similarity 0.7826 NPC18397
Intermediate Similarity 0.7778 NPC59570
Intermediate Similarity 0.7778 NPC45270
Intermediate Similarity 0.7778 NPC215118
Intermediate Similarity 0.7778 NPC135077
Intermediate Similarity 0.7736 NPC184819
Intermediate Similarity 0.7679 NPC270042
Intermediate Similarity 0.7593 NPC143597
Intermediate Similarity 0.7593 NPC151464
Intermediate Similarity 0.7593 NPC474105
Intermediate Similarity 0.7556 NPC141634
Intermediate Similarity 0.7547 NPC288296
Intermediate Similarity 0.7547 NPC53245
Intermediate Similarity 0.7292 NPC171783
Intermediate Similarity 0.7143 NPC267626
Intermediate Similarity 0.7143 NPC49575
Intermediate Similarity 0.7143 NPC55004
Intermediate Similarity 0.7119 NPC472306
Remote Similarity 0.6842 NPC230823
Remote Similarity 0.6833 NPC165695
Remote Similarity 0.678 NPC25853
Remote Similarity 0.6724 NPC30215
Remote Similarity 0.6724 NPC266295
Remote Similarity 0.6724 NPC94991
Remote Similarity 0.6721 NPC128608
Remote Similarity 0.6667 NPC236623
Remote Similarity 0.661 NPC259261
Remote Similarity 0.6607 NPC319589
Remote Similarity 0.6512 NPC321646
Remote Similarity 0.6508 NPC189917
Remote Similarity 0.6508 NPC39462
Remote Similarity 0.6508 NPC168824
Remote Similarity 0.6508 NPC96812
Remote Similarity 0.6508 NPC107704
Remote Similarity 0.6508 NPC43300
Remote Similarity 0.6491 NPC200258
Remote Similarity 0.6491 NPC307063
Remote Similarity 0.6452 NPC473902
Remote Similarity 0.6444 NPC248190
Remote Similarity 0.6418 NPC52667
Remote Similarity 0.6418 NPC248567
Remote Similarity 0.6393 NPC213152
Remote Similarity 0.6393 NPC475795
Remote Similarity 0.6383 NPC69245
Remote Similarity 0.6349 NPC157518
Remote Similarity 0.6308 NPC20610
Remote Similarity 0.6308 NPC473225
Remote Similarity 0.6304 NPC121215
Remote Similarity 0.6279 NPC79887
Remote Similarity 0.6279 NPC196434
Remote Similarity 0.6279 NPC222997
Remote Similarity 0.6279 NPC153439
Remote Similarity 0.6279 NPC4962
Remote Similarity 0.6279 NPC42403
Remote Similarity 0.6279 NPC29561
Remote Similarity 0.6279 NPC221192
Remote Similarity 0.6271 NPC115385
Remote Similarity 0.6269 NPC197701
Remote Similarity 0.625 NPC323005
Remote Similarity 0.6232 NPC132064
Remote Similarity 0.623 NPC66145
Remote Similarity 0.6212 NPC182815
Remote Similarity 0.6212 NPC477857
Remote Similarity 0.6212 NPC474962
Remote Similarity 0.619 NPC212210
Remote Similarity 0.6182 NPC116906
Remote Similarity 0.6167 NPC127798
Remote Similarity 0.6136 NPC168982
Remote Similarity 0.6119 NPC477856
Remote Similarity 0.6119 NPC35734
Remote Similarity 0.6119 NPC40574
Remote Similarity 0.6119 NPC159577
Remote Similarity 0.6119 NPC214770
Remote Similarity 0.6119 NPC307176
Remote Similarity 0.6119 NPC108131
Remote Similarity 0.6119 NPC282593
Remote Similarity 0.6102 NPC20603
Remote Similarity 0.6066 NPC9880
Remote Similarity 0.6066 NPC230070
Remote Similarity 0.6066 NPC143834
Remote Similarity 0.6066 NPC87828
Remote Similarity 0.6056 NPC74685
Remote Similarity 0.6056 NPC169389
Remote Similarity 0.6056 NPC475932
Remote Similarity 0.6047 NPC295442
Remote Similarity 0.6047 NPC38859
Remote Similarity 0.6047 NPC198118
Remote Similarity 0.6034 NPC202146
Remote Similarity 0.6034 NPC32222
Remote Similarity 0.6032 NPC32285
Remote Similarity 0.6029 NPC311102
Remote Similarity 0.6029 NPC234707
Remote Similarity 0.6029 NPC320549
Remote Similarity 0.6029 NPC473267
Remote Similarity 0.6029 NPC156277
Remote Similarity 0.6029 NPC115023
Remote Similarity 0.6029 NPC223187
Remote Similarity 0.6029 NPC151018
Remote Similarity 0.6029 NPC470078
Remote Similarity 0.6029 NPC305501
Remote Similarity 0.6029 NPC110615
Remote Similarity 0.6029 NPC5701
Remote Similarity 0.6029 NPC58057
Remote Similarity 0.6 NPC268596
Remote Similarity 0.6 NPC225318
Remote Similarity 0.6 NPC16578
Remote Similarity 0.6 NPC76608
Remote Similarity 0.6 NPC42060
Remote Similarity 0.6 NPC268736
Remote Similarity 0.6 NPC192427
Remote Similarity 0.6 NPC201263
Remote Similarity 0.6 NPC149101
Remote Similarity 0.6 NPC477931
Remote Similarity 0.6 NPC155441
Remote Similarity 0.5972 NPC228911
Remote Similarity 0.597 NPC6120
Remote Similarity 0.597 NPC321732
Remote Similarity 0.597 NPC196197
Remote Similarity 0.597 NPC324607
Remote Similarity 0.597 NPC61702
Remote Similarity 0.597 NPC327728
Remote Similarity 0.597 NPC162867
Remote Similarity 0.597 NPC469677
Remote Similarity 0.597 NPC213178
Remote Similarity 0.597 NPC139397
Remote Similarity 0.597 NPC131892
Remote Similarity 0.5968 NPC84218
Remote Similarity 0.5957 NPC218357
Remote Similarity 0.5942 NPC251705
Remote Similarity 0.5942 NPC232112
Remote Similarity 0.5942 NPC303613
Remote Similarity 0.5942 NPC310766
Remote Similarity 0.5942 NPC470044
Remote Similarity 0.5942 NPC470045
Remote Similarity 0.5942 NPC474123
Remote Similarity 0.5942 NPC474228
Remote Similarity 0.5932 NPC178223
Remote Similarity 0.5932 NPC166894
Remote Similarity 0.5932 NPC89069
Remote Similarity 0.5932 NPC283655
Remote Similarity 0.5932 NPC277917
Remote Similarity 0.5909 NPC475523
Remote Similarity 0.5909 NPC130459
Remote Similarity 0.5909 NPC474221
Remote Similarity 0.5909 NPC478180
Remote Similarity 0.5902 NPC27610
Remote Similarity 0.5902 NPC56905
Remote Similarity 0.5882 NPC265782
Remote Similarity 0.5882 NPC476731
Remote Similarity 0.5882 NPC260040
Remote Similarity 0.5882 NPC251929
Remote Similarity 0.5882 NPC2634
Remote Similarity 0.5873 NPC83088
Remote Similarity 0.5873 NPC60565
Remote Similarity 0.5873 NPC97322
Remote Similarity 0.5862 NPC474141
Remote Similarity 0.5857 NPC255021
Remote Similarity 0.5857 NPC159497
Remote Similarity 0.5857 NPC254340
Remote Similarity 0.5857 NPC472854
Remote Similarity 0.5818 NPC13105
Remote Similarity 0.5814 NPC100997
Remote Similarity 0.5806 NPC96551
Remote Similarity 0.5806 NPC285594
Remote Similarity 0.5797 NPC470243
Remote Similarity 0.5797 NPC89310
Remote Similarity 0.5797 NPC126642
Remote Similarity 0.5797 NPC54123
Remote Similarity 0.5797 NPC472309
Remote Similarity 0.5789 NPC27438
Remote Similarity 0.5781 NPC167256
Remote Similarity 0.5775 NPC72444
Remote Similarity 0.5775 NPC472311
Remote Similarity 0.5775 NPC125767
Remote Similarity 0.5775 NPC255650
Remote Similarity 0.5775 NPC293803
Remote Similarity 0.5775 NPC273366
Remote Similarity 0.5775 NPC21220
Remote Similarity 0.5775 NPC195155
Remote Similarity 0.5775 NPC97534
Remote Similarity 0.5775 NPC174964
Remote Similarity 0.5763 NPC202850
Remote Similarity 0.5763 NPC63396
Remote Similarity 0.5758 NPC176171
Remote Similarity 0.5741 NPC314679
Remote Similarity 0.5738 NPC29976
Remote Similarity 0.5738 NPC150713

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  152.12
ALogP  0.9693
MLogP  2.45
XLogP  2.127
HDA  1
HBD  0
Rotatable Bonds  3
TPSA  17.07
RO5 Violation  0