Drug Information

Drug ID:  NPD371
Drug Name:  Epomediol
Molecular Formula:  C10H18O3
Canonical SMILES:  OC1CC2CC(C1(C)OC2(C)C)O
Standard InCHI:  InChI=1S/C10H18O3/c1-9(2)6-4-7(11)10(3,13-9)8(12)5-6/h6-8,11-12H,4-5H2,1-3H3
Standard InCHIKey:  JSNQSLSBBZFGBM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD371

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 0.9322 NPC185116
High Similarity 0.873 NPC94897
Intermediate Similarity 0.8406 NPC166250
Intermediate Similarity 0.8406 NPC470151
Intermediate Similarity 0.8333 NPC179823
Intermediate Similarity 0.8226 NPC47663
Intermediate Similarity 0.7937 NPC476209
Intermediate Similarity 0.7833 NPC244869
Intermediate Similarity 0.7833 NPC300235
Intermediate Similarity 0.7833 NPC476136
Intermediate Similarity 0.7833 NPC476149
Intermediate Similarity 0.7826 NPC470833
Intermediate Similarity 0.7778 NPC472950
Intermediate Similarity 0.7778 NPC472952
Intermediate Similarity 0.7733 NPC186588
Intermediate Similarity 0.7733 NPC16449
Intermediate Similarity 0.7703 NPC52755
Intermediate Similarity 0.7692 NPC475412
Intermediate Similarity 0.7662 NPC241959
Intermediate Similarity 0.7656 NPC182903
Intermediate Similarity 0.7639 NPC10476
Intermediate Similarity 0.7639 NPC192501
Intermediate Similarity 0.7639 NPC228994
Intermediate Similarity 0.7632 NPC470156
Intermediate Similarity 0.76 NPC81074
Intermediate Similarity 0.76 NPC477282
Intermediate Similarity 0.7534 NPC243027
Intermediate Similarity 0.7534 NPC196136
Intermediate Similarity 0.7534 NPC158208
Intermediate Similarity 0.7532 NPC477447
Intermediate Similarity 0.7532 NPC477446
Intermediate Similarity 0.7532 NPC470155
Intermediate Similarity 0.7467 NPC177343
Intermediate Similarity 0.7467 NPC272841
Intermediate Similarity 0.7467 NPC43463
Intermediate Similarity 0.7465 NPC471879
Intermediate Similarity 0.7432 NPC136424
Intermediate Similarity 0.7403 NPC470154
Intermediate Similarity 0.7403 NPC211049
Intermediate Similarity 0.7397 NPC308489
Intermediate Similarity 0.7375 NPC268633
Intermediate Similarity 0.7361 NPC131506
Intermediate Similarity 0.7361 NPC157777
Intermediate Similarity 0.7344 NPC170780
Intermediate Similarity 0.7333 NPC11907
Intermediate Similarity 0.7333 NPC133596
Intermediate Similarity 0.7333 NPC128951
Intermediate Similarity 0.7333 NPC302578
Intermediate Similarity 0.7333 NPC64081
Intermediate Similarity 0.7333 NPC192046
Intermediate Similarity 0.7333 NPC477227
Intermediate Similarity 0.7333 NPC474574
Intermediate Similarity 0.7333 NPC105208
Intermediate Similarity 0.7313 NPC172622
Intermediate Similarity 0.7308 NPC202688
Intermediate Similarity 0.7308 NPC154043
Intermediate Similarity 0.7308 NPC60018
Intermediate Similarity 0.7297 NPC231680
Intermediate Similarity 0.7297 NPC270306
Intermediate Similarity 0.7297 NPC91387
Intermediate Similarity 0.7288 NPC176309
Intermediate Similarity 0.7288 NPC198540
Intermediate Similarity 0.7288 NPC84030
Intermediate Similarity 0.7288 NPC147343
Intermediate Similarity 0.7288 NPC223468
Intermediate Similarity 0.7288 NPC287550
Intermediate Similarity 0.7273 NPC186594
Intermediate Similarity 0.7273 NPC472951
Intermediate Similarity 0.7273 NPC472943
Intermediate Similarity 0.726 NPC95165
Intermediate Similarity 0.7237 NPC252483
Intermediate Similarity 0.7237 NPC191345
Intermediate Similarity 0.7237 NPC67657
Intermediate Similarity 0.7237 NPC18857
Intermediate Similarity 0.7237 NPC147993
Intermediate Similarity 0.7231 NPC236588
Intermediate Similarity 0.7215 NPC477978
Intermediate Similarity 0.72 NPC163597
Intermediate Similarity 0.7188 NPC471269
Intermediate Similarity 0.7183 NPC474756
Intermediate Similarity 0.7179 NPC116320
Intermediate Similarity 0.7179 NPC119922
Intermediate Similarity 0.7162 NPC31046
Intermediate Similarity 0.7162 NPC200167
Intermediate Similarity 0.7162 NPC53868
Intermediate Similarity 0.7162 NPC475458
Intermediate Similarity 0.7162 NPC209666
Intermediate Similarity 0.716 NPC107603
Intermediate Similarity 0.7143 NPC269333
Intermediate Similarity 0.7125 NPC320824
Intermediate Similarity 0.7123 NPC8004
Intermediate Similarity 0.7123 NPC127283
Intermediate Similarity 0.7119 NPC77550
Intermediate Similarity 0.7119 NPC108441
Intermediate Similarity 0.7105 NPC185915
Intermediate Similarity 0.7105 NPC476719
Intermediate Similarity 0.7101 NPC476702
Intermediate Similarity 0.7101 NPC199937
Intermediate Similarity 0.7097 NPC307022
Intermediate Similarity 0.7089 NPC475388
Intermediate Similarity 0.7089 NPC216800
Intermediate Similarity 0.7083 NPC234511
Intermediate Similarity 0.7073 NPC62202
Intermediate Similarity 0.7073 NPC472396
Intermediate Similarity 0.7073 NPC213658
Intermediate Similarity 0.7073 NPC110365
Intermediate Similarity 0.7073 NPC45833
Intermediate Similarity 0.7067 NPC317242
Intermediate Similarity 0.7059 NPC475807
Intermediate Similarity 0.7037 NPC266651
Intermediate Similarity 0.7037 NPC290612
Intermediate Similarity 0.7027 NPC123122
Intermediate Similarity 0.7027 NPC470660
Intermediate Similarity 0.7027 NPC470659
Intermediate Similarity 0.7013 NPC471769
Intermediate Similarity 0.7 NPC269684
Intermediate Similarity 0.7 NPC260116
Intermediate Similarity 0.7 NPC227170
Remote Similarity 0.6988 NPC473436
Remote Similarity 0.6988 NPC476379
Remote Similarity 0.6986 NPC282454
Remote Similarity 0.6974 NPC107963
Remote Similarity 0.6974 NPC470145
Remote Similarity 0.697 NPC135438
Remote Similarity 0.6951 NPC474215
Remote Similarity 0.6951 NPC471240
Remote Similarity 0.6951 NPC475729
Remote Similarity 0.6951 NPC155531
Remote Similarity 0.6951 NPC471410
Remote Similarity 0.6951 NPC215968
Remote Similarity 0.6951 NPC471411
Remote Similarity 0.6944 NPC266578
Remote Similarity 0.6944 NPC469987
Remote Similarity 0.6944 NPC244790
Remote Similarity 0.6944 NPC475893
Remote Similarity 0.6941 NPC293609
Remote Similarity 0.6933 NPC304499
Remote Similarity 0.6923 NPC287452
Remote Similarity 0.6914 NPC18953
Remote Similarity 0.6914 NPC474156
Remote Similarity 0.6892 NPC187471
Remote Similarity 0.6892 NPC100586
Remote Similarity 0.6892 NPC252182
Remote Similarity 0.6892 NPC470071
Remote Similarity 0.6892 NPC1340
Remote Similarity 0.6892 NPC109457
Remote Similarity 0.6892 NPC157422
Remote Similarity 0.6883 NPC476233
Remote Similarity 0.6875 NPC36002
Remote Similarity 0.6875 NPC102336
Remote Similarity 0.6867 NPC140446
Remote Similarity 0.6867 NPC471377
Remote Similarity 0.6867 NPC43912
Remote Similarity 0.6867 NPC5943
Remote Similarity 0.6866 NPC215671
Remote Similarity 0.6866 NPC87296
Remote Similarity 0.6866 NPC475515
Remote Similarity 0.686 NPC277774
Remote Similarity 0.6849 NPC66407
Remote Similarity 0.6849 NPC107919
Remote Similarity 0.6824 NPC279329
Remote Similarity 0.6812 NPC95804
Remote Similarity 0.6812 NPC185547
Remote Similarity 0.6806 NPC476928
Remote Similarity 0.6806 NPC204233
Remote Similarity 0.6806 NPC253303
Remote Similarity 0.6806 NPC477761
Remote Similarity 0.6806 NPC269077
Remote Similarity 0.6806 NPC477760
Remote Similarity 0.6806 NPC477759
Remote Similarity 0.6806 NPC477754
Remote Similarity 0.6806 NPC477758
Remote Similarity 0.68 NPC470610
Remote Similarity 0.68 NPC153719
Remote Similarity 0.68 NPC472341
Remote Similarity 0.68 NPC253805
Remote Similarity 0.68 NPC83368
Remote Similarity 0.68 NPC473238
Remote Similarity 0.679 NPC211135
Remote Similarity 0.679 NPC85095
Remote Similarity 0.679 NPC478054
Remote Similarity 0.679 NPC216420
Remote Similarity 0.679 NPC477285
Remote Similarity 0.679 NPC470070
Remote Similarity 0.679 NPC69953
Remote Similarity 0.679 NPC111582
Remote Similarity 0.6786 NPC128475
Remote Similarity 0.6786 NPC476435
Remote Similarity 0.6782 NPC3538
Remote Similarity 0.6782 NPC113500
Remote Similarity 0.6782 NPC477224
Remote Similarity 0.678 NPC144891
Remote Similarity 0.6769 NPC53209
Remote Similarity 0.6761 NPC472946
Remote Similarity 0.6757 NPC283316
Remote Similarity 0.6757 NPC231945
Remote Similarity 0.6753 NPC63958
Remote Similarity 0.6753 NPC279575
Remote Similarity 0.6753 NPC470766
Remote Similarity 0.675 NPC473257

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  186.13
ALogP  -0.2217
MLogP  2.23
XLogP  0.535
HDA  3
HBD  2
Rotatable Bonds  5
TPSA  49.69
RO5 Violation  0