Drug Information

Drug ID:  NPD6684
Drug Name:  Testosterone Enanthate
Molecular Formula:  C26H40O3
Canonical SMILES:  CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
Standard InCHI:  InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1
Standard InCHIKey:  VOCBWIIFXDYGNZ-IXKNJLPQSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6684

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 NPC195640
High Similarity 0.9875 NPC323765
High Similarity 0.9286 NPC28227
High Similarity 0.8966 NPC218301
High Similarity 0.8953 NPC305039
High Similarity 0.8929 NPC470223
High Similarity 0.8875 NPC472300
High Similarity 0.8824 NPC264127
High Similarity 0.881 NPC329043
High Similarity 0.881 NPC321187
High Similarity 0.881 NPC161423
High Similarity 0.881 NPC58841
High Similarity 0.881 NPC227064
High Similarity 0.8795 NPC100297
High Similarity 0.8764 NPC294266
High Similarity 0.875 NPC154101
High Similarity 0.8667 NPC469599
High Similarity 0.8636 NPC475965
High Similarity 0.8636 NPC474842
High Similarity 0.8621 NPC472220
High Similarity 0.8621 NPC97884
High Similarity 0.8588 NPC85774
High Similarity 0.8588 NPC82902
High Similarity 0.8588 NPC214043
High Similarity 0.8588 NPC100391
High Similarity 0.8587 NPC176845
High Similarity 0.8571 NPC322063
High Similarity 0.8571 NPC327969
High Similarity 0.8571 NPC58052
High Similarity 0.8571 NPC111684
High Similarity 0.8571 NPC321289
High Similarity 0.8571 NPC320514
High Similarity 0.8523 NPC477943
High Similarity 0.8523 NPC474570
High Similarity 0.8511 NPC308351
High Similarity 0.8511 NPC271266
High Similarity 0.8511 NPC22388
Intermediate Similarity 0.8488 NPC29447
Intermediate Similarity 0.8488 NPC474218
Intermediate Similarity 0.8478 NPC187159
Intermediate Similarity 0.8478 NPC475894
Intermediate Similarity 0.8471 NPC470046
Intermediate Similarity 0.8471 NPC470047
Intermediate Similarity 0.8452 NPC147066
Intermediate Similarity 0.8452 NPC475665
Intermediate Similarity 0.8452 NPC474955
Intermediate Similarity 0.8452 NPC477372
Intermediate Similarity 0.8444 NPC79117
Intermediate Similarity 0.8434 NPC44083
Intermediate Similarity 0.8434 NPC471475
Intermediate Similarity 0.8434 NPC153987
Intermediate Similarity 0.8427 NPC471896
Intermediate Similarity 0.8421 NPC36321
Intermediate Similarity 0.8409 NPC474845
Intermediate Similarity 0.8404 NPC99411
Intermediate Similarity 0.8391 NPC31564
Intermediate Similarity 0.8391 NPC469994
Intermediate Similarity 0.8391 NPC145879
Intermediate Similarity 0.8391 NPC470050
Intermediate Similarity 0.8391 NPC470051
Intermediate Similarity 0.8391 NPC327115
Intermediate Similarity 0.8391 NPC155011
Intermediate Similarity 0.8391 NPC474733
Intermediate Similarity 0.8391 NPC474732
Intermediate Similarity 0.8391 NPC474778
Intermediate Similarity 0.8387 NPC153792
Intermediate Similarity 0.8387 NPC271387
Intermediate Similarity 0.8372 NPC320801
Intermediate Similarity 0.8372 NPC473246
Intermediate Similarity 0.8372 NPC109512
Intermediate Similarity 0.8372 NPC312660
Intermediate Similarity 0.8353 NPC142683
Intermediate Similarity 0.8353 NPC240302
Intermediate Similarity 0.8353 NPC193347
Intermediate Similarity 0.8352 NPC473431
Intermediate Similarity 0.8352 NPC56525
Intermediate Similarity 0.8352 NPC471078
Intermediate Similarity 0.8352 NPC473435
Intermediate Similarity 0.8352 NPC473280
Intermediate Similarity 0.8333 NPC164835
Intermediate Similarity 0.8333 NPC235889
Intermediate Similarity 0.8333 NPC267517
Intermediate Similarity 0.8333 NPC474956
Intermediate Similarity 0.8333 NPC228669
Intermediate Similarity 0.8315 NPC54689
Intermediate Similarity 0.8315 NPC476733
Intermediate Similarity 0.8315 NPC215029
Intermediate Similarity 0.8315 NPC177141
Intermediate Similarity 0.8313 NPC469996
Intermediate Similarity 0.8313 NPC4827
Intermediate Similarity 0.8295 NPC317590
Intermediate Similarity 0.8295 NPC142361
Intermediate Similarity 0.8295 NPC96496
Intermediate Similarity 0.8295 NPC474684
Intermediate Similarity 0.8295 NPC167877
Intermediate Similarity 0.8295 NPC58063
Intermediate Similarity 0.8295 NPC136948
Intermediate Similarity 0.8295 NPC475740
Intermediate Similarity 0.828 NPC151488
Intermediate Similarity 0.828 NPC23680
Intermediate Similarity 0.828 NPC57416
Intermediate Similarity 0.828 NPC107243
Intermediate Similarity 0.8276 NPC469948
Intermediate Similarity 0.8276 NPC470574
Intermediate Similarity 0.8276 NPC2709
Intermediate Similarity 0.8276 NPC189311
Intermediate Similarity 0.8272 NPC166797
Intermediate Similarity 0.8261 NPC33473
Intermediate Similarity 0.8256 NPC170862
Intermediate Similarity 0.8256 NPC271784
Intermediate Similarity 0.8256 NPC193198
Intermediate Similarity 0.8247 NPC181265
Intermediate Similarity 0.8247 NPC470267
Intermediate Similarity 0.8242 NPC470224
Intermediate Similarity 0.8242 NPC152897
Intermediate Similarity 0.8242 NPC470375
Intermediate Similarity 0.8242 NPC474185
Intermediate Similarity 0.8242 NPC66429
Intermediate Similarity 0.8242 NPC470376
Intermediate Similarity 0.8235 NPC471898
Intermediate Similarity 0.8235 NPC278459
Intermediate Similarity 0.8235 NPC201912
Intermediate Similarity 0.8235 NPC38350
Intermediate Similarity 0.8222 NPC175628
Intermediate Similarity 0.8222 NPC8062
Intermediate Similarity 0.8222 NPC148414
Intermediate Similarity 0.8222 NPC111585
Intermediate Similarity 0.8222 NPC273199
Intermediate Similarity 0.8222 NPC328141
Intermediate Similarity 0.8214 NPC476177
Intermediate Similarity 0.8214 NPC477371
Intermediate Similarity 0.8211 NPC474327
Intermediate Similarity 0.8211 NPC310981
Intermediate Similarity 0.8202 NPC328313
Intermediate Similarity 0.8202 NPC80335
Intermediate Similarity 0.8202 NPC294480
Intermediate Similarity 0.8193 NPC165711
Intermediate Similarity 0.8191 NPC197386
Intermediate Similarity 0.8191 NPC235464
Intermediate Similarity 0.8191 NPC166745
Intermediate Similarity 0.8191 NPC471582
Intermediate Similarity 0.8182 NPC325594
Intermediate Similarity 0.8182 NPC9892
Intermediate Similarity 0.8182 NPC10005
Intermediate Similarity 0.8182 NPC220478
Intermediate Similarity 0.8182 NPC91525
Intermediate Similarity 0.8182 NPC329943
Intermediate Similarity 0.8172 NPC151725
Intermediate Similarity 0.8172 NPC42042
Intermediate Similarity 0.8172 NPC106425
Intermediate Similarity 0.8172 NPC122324
Intermediate Similarity 0.8163 NPC220974
Intermediate Similarity 0.8161 NPC144258
Intermediate Similarity 0.8161 NPC237712
Intermediate Similarity 0.8161 NPC165064
Intermediate Similarity 0.8161 NPC59453
Intermediate Similarity 0.8161 NPC221758
Intermediate Similarity 0.8152 NPC472223
Intermediate Similarity 0.8152 NPC74751
Intermediate Similarity 0.8152 NPC472224
Intermediate Similarity 0.8152 NPC124207
Intermediate Similarity 0.8152 NPC111015
Intermediate Similarity 0.8152 NPC159410
Intermediate Similarity 0.814 NPC260956
Intermediate Similarity 0.814 NPC328351
Intermediate Similarity 0.814 NPC151519
Intermediate Similarity 0.8132 NPC26888
Intermediate Similarity 0.8132 NPC190442
Intermediate Similarity 0.8132 NPC150383
Intermediate Similarity 0.8125 NPC473928
Intermediate Similarity 0.8118 NPC2482
Intermediate Similarity 0.8111 NPC326627
Intermediate Similarity 0.8111 NPC310010
Intermediate Similarity 0.8111 NPC186688
Intermediate Similarity 0.8111 NPC474679
Intermediate Similarity 0.8111 NPC26959
Intermediate Similarity 0.8111 NPC469546
Intermediate Similarity 0.8111 NPC309603
Intermediate Similarity 0.8111 NPC474889
Intermediate Similarity 0.8111 NPC1015
Intermediate Similarity 0.8111 NPC50070
Intermediate Similarity 0.8111 NPC2983
Intermediate Similarity 0.8111 NPC262043
Intermediate Similarity 0.8111 NPC475921
Intermediate Similarity 0.8111 NPC76879
Intermediate Similarity 0.8111 NPC31985
Intermediate Similarity 0.8111 NPC473999
Intermediate Similarity 0.8111 NPC268406
Intermediate Similarity 0.8111 NPC474704
Intermediate Similarity 0.8105 NPC218383
Intermediate Similarity 0.8095 NPC35574
Intermediate Similarity 0.8095 NPC63020
Intermediate Similarity 0.809 NPC233836
Intermediate Similarity 0.809 NPC187376
Intermediate Similarity 0.809 NPC159046
Intermediate Similarity 0.809 NPC46912
Intermediate Similarity 0.809 NPC162107
Intermediate Similarity 0.809 NPC93778
Intermediate Similarity 0.809 NPC312215
Intermediate Similarity 0.8085 NPC292133

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  400.30
ALogP  -0.4352
MLogP  3.99
XLogP  6.904
HDA  3
HBD  0
Rotatable Bonds  10
TPSA  43.37
RO5 Violation  1