Drug Information

Drug ID:  NPD4221
Drug Name:  Methyltestosterone
Molecular Formula:  C20H30O2
Canonical SMILES:  O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C
Standard InCHI:  InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
Standard InCHIKey:  GCKMFJBGXUYNAG-HLXURNFRSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4221

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 NPC193347
High Similarity 0.9744 NPC144258
High Similarity 0.925 NPC321187
High Similarity 0.925 NPC329043
High Similarity 0.925 NPC227064
High Similarity 0.925 NPC161423
High Similarity 0.925 NPC58841
High Similarity 0.9157 NPC326627
High Similarity 0.9157 NPC310010
High Similarity 0.9103 NPC215843
High Similarity 0.9012 NPC214043
High Similarity 0.9012 NPC472480
High Similarity 0.9012 NPC82902
High Similarity 0.9012 NPC85774
High Similarity 0.9012 NPC237712
High Similarity 0.9 NPC320514
High Similarity 0.8929 NPC477943
High Similarity 0.8916 NPC136948
High Similarity 0.8902 NPC469948
High Similarity 0.8902 NPC29447
High Similarity 0.8902 NPC474218
High Similarity 0.8889 NPC477852
High Similarity 0.8875 NPC477372
High Similarity 0.8875 NPC147066
High Similarity 0.8837 NPC233118
High Similarity 0.8795 NPC474733
High Similarity 0.8795 NPC474778
High Similarity 0.8795 NPC31564
High Similarity 0.8795 NPC474732
High Similarity 0.8795 NPC469994
High Similarity 0.8795 NPC327115
High Similarity 0.8795 NPC145879
High Similarity 0.878 NPC473246
High Similarity 0.875 NPC472478
High Similarity 0.875 NPC476809
High Similarity 0.8706 NPC76879
High Similarity 0.8706 NPC262043
High Similarity 0.8706 NPC2983
High Similarity 0.869 NPC58063
High Similarity 0.869 NPC317590
High Similarity 0.869 NPC472481
High Similarity 0.869 NPC472482
High Similarity 0.869 NPC93778
High Similarity 0.869 NPC472484
High Similarity 0.869 NPC475740
High Similarity 0.8642 NPC201912
High Similarity 0.8642 NPC150506
High Similarity 0.8642 NPC38350
High Similarity 0.8625 NPC477371
High Similarity 0.8608 NPC165711
High Similarity 0.8605 NPC171441
High Similarity 0.8605 NPC320026
High Similarity 0.8588 NPC328313
High Similarity 0.8588 NPC328539
High Similarity 0.8588 NPC472483
High Similarity 0.8571 NPC472479
High Similarity 0.8554 NPC221758
High Similarity 0.8554 NPC59453
High Similarity 0.8553 NPC307176
High Similarity 0.8537 NPC260956
High Similarity 0.8537 NPC151519
High Similarity 0.8523 NPC111015
High Similarity 0.8519 NPC2482
High Similarity 0.8506 NPC475806
High Similarity 0.85 NPC471409
High Similarity 0.85 NPC275494
Intermediate Similarity 0.8488 NPC186688
Intermediate Similarity 0.8488 NPC268406
Intermediate Similarity 0.8488 NPC1015
Intermediate Similarity 0.8488 NPC305039
Intermediate Similarity 0.8488 NPC26959
Intermediate Similarity 0.8488 NPC309603
Intermediate Similarity 0.8488 NPC31985
Intermediate Similarity 0.8488 NPC473999
Intermediate Similarity 0.8471 NPC90652
Intermediate Similarity 0.8471 NPC136548
Intermediate Similarity 0.8452 NPC470574
Intermediate Similarity 0.8452 NPC471224
Intermediate Similarity 0.8452 NPC323765
Intermediate Similarity 0.8444 NPC18509
Intermediate Similarity 0.8434 NPC168188
Intermediate Similarity 0.8434 NPC472492
Intermediate Similarity 0.8434 NPC69279
Intermediate Similarity 0.8434 NPC83569
Intermediate Similarity 0.8434 NPC477373
Intermediate Similarity 0.8434 NPC470015
Intermediate Similarity 0.8421 NPC139397
Intermediate Similarity 0.8415 NPC473217
Intermediate Similarity 0.8415 NPC6434
Intermediate Similarity 0.8415 NPC121984
Intermediate Similarity 0.8415 NPC278459
Intermediate Similarity 0.8415 NPC471898
Intermediate Similarity 0.8409 NPC474807
Intermediate Similarity 0.8409 NPC250575
Intermediate Similarity 0.8395 NPC472490
Intermediate Similarity 0.8391 NPC48010
Intermediate Similarity 0.8375 NPC257666
Intermediate Similarity 0.8375 NPC266193
Intermediate Similarity 0.8372 NPC471722
Intermediate Similarity 0.8372 NPC320665
Intermediate Similarity 0.8372 NPC470417
Intermediate Similarity 0.8354 NPC251435
Intermediate Similarity 0.8353 NPC475022
Intermediate Similarity 0.8353 NPC20688
Intermediate Similarity 0.8353 NPC72133
Intermediate Similarity 0.8353 NPC473168
Intermediate Similarity 0.8353 NPC51014
Intermediate Similarity 0.8353 NPC222613
Intermediate Similarity 0.8353 NPC118648
Intermediate Similarity 0.8353 NPC195640
Intermediate Similarity 0.8333 NPC303613
Intermediate Similarity 0.8333 NPC472265
Intermediate Similarity 0.8333 NPC474228
Intermediate Similarity 0.8315 NPC8993
Intermediate Similarity 0.8313 NPC133391
Intermediate Similarity 0.8312 NPC265782
Intermediate Similarity 0.8312 NPC260040
Intermediate Similarity 0.8312 NPC282593
Intermediate Similarity 0.8312 NPC35734
Intermediate Similarity 0.8312 NPC251929
Intermediate Similarity 0.8312 NPC2634
Intermediate Similarity 0.8312 NPC159577
Intermediate Similarity 0.8295 NPC473998
Intermediate Similarity 0.8295 NPC204341
Intermediate Similarity 0.8295 NPC185936
Intermediate Similarity 0.8295 NPC272746
Intermediate Similarity 0.8295 NPC154101
Intermediate Similarity 0.8295 NPC168027
Intermediate Similarity 0.8293 NPC108955
Intermediate Similarity 0.8293 NPC469637
Intermediate Similarity 0.8276 NPC32830
Intermediate Similarity 0.8276 NPC472475
Intermediate Similarity 0.8276 NPC472477
Intermediate Similarity 0.8276 NPC86319
Intermediate Similarity 0.8276 NPC476733
Intermediate Similarity 0.8276 NPC215029
Intermediate Similarity 0.8276 NPC275740
Intermediate Similarity 0.8276 NPC474245
Intermediate Similarity 0.8276 NPC119416
Intermediate Similarity 0.8272 NPC82635
Intermediate Similarity 0.8272 NPC469996
Intermediate Similarity 0.8272 NPC476808
Intermediate Similarity 0.8272 NPC189485
Intermediate Similarity 0.8261 NPC154072
Intermediate Similarity 0.8261 NPC144956
Intermediate Similarity 0.8256 NPC96496
Intermediate Similarity 0.825 NPC180886
Intermediate Similarity 0.8235 NPC94531
Intermediate Similarity 0.8235 NPC123319
Intermediate Similarity 0.8235 NPC474083
Intermediate Similarity 0.8235 NPC311702
Intermediate Similarity 0.8222 NPC472824
Intermediate Similarity 0.8222 NPC472932
Intermediate Similarity 0.8222 NPC271195
Intermediate Similarity 0.8214 NPC53733
Intermediate Similarity 0.8205 NPC115023
Intermediate Similarity 0.8205 NPC54123
Intermediate Similarity 0.8205 NPC144627
Intermediate Similarity 0.8202 NPC474736
Intermediate Similarity 0.8202 NPC475255
Intermediate Similarity 0.8193 NPC55869
Intermediate Similarity 0.8182 NPC129913
Intermediate Similarity 0.8182 NPC69622
Intermediate Similarity 0.8182 NPC191684
Intermediate Similarity 0.8182 NPC126993
Intermediate Similarity 0.8182 NPC472476
Intermediate Similarity 0.8182 NPC85173
Intermediate Similarity 0.8171 NPC231431
Intermediate Similarity 0.8171 NPC170394
Intermediate Similarity 0.8171 NPC158846
Intermediate Similarity 0.8161 NPC143767
Intermediate Similarity 0.8161 NPC193360
Intermediate Similarity 0.8161 NPC131470
Intermediate Similarity 0.8161 NPC117122
Intermediate Similarity 0.8148 NPC212661
Intermediate Similarity 0.8148 NPC106078
Intermediate Similarity 0.8148 NPC471035
Intermediate Similarity 0.8148 NPC472300
Intermediate Similarity 0.8148 NPC66105
Intermediate Similarity 0.814 NPC472491
Intermediate Similarity 0.814 NPC472488
Intermediate Similarity 0.814 NPC155011
Intermediate Similarity 0.814 NPC89077
Intermediate Similarity 0.814 NPC472494
Intermediate Similarity 0.814 NPC472869
Intermediate Similarity 0.8132 NPC49371
Intermediate Similarity 0.8125 NPC192540
Intermediate Similarity 0.8125 NPC279666
Intermediate Similarity 0.8125 NPC77501
Intermediate Similarity 0.8118 NPC33913
Intermediate Similarity 0.8118 NPC476412
Intermediate Similarity 0.8118 NPC164577
Intermediate Similarity 0.8118 NPC96095
Intermediate Similarity 0.8111 NPC196485
Intermediate Similarity 0.8111 NPC245972
Intermediate Similarity 0.8101 NPC251705
Intermediate Similarity 0.8095 NPC472239
Intermediate Similarity 0.8095 NPC302661
Intermediate Similarity 0.8095 NPC238991
Intermediate Similarity 0.8095 NPC100297

Drug Structure

External Identifiers

TTD   DNAP001645
DrugBank   DB06710
ChEMBL   CHEMBL1395
IUPHAR/BPS  
PharmaGKB   PA165958383
KEGG Drug   D00408
PubChem CID   6010
ChEBI   27436
CAS Number  58-18-4

Drug Properties

Molecular Weight  302.22
ALogP  1.0101
MLogP  3.44
XLogP  4.052
HDA  2
HBD  1
Rotatable Bonds  4
TPSA  37.3
RO5 Violation  0