Drug Information

Drug ID:  NPD4244
Drug Name:  Mesterolone
Molecular Formula:  C20H32O2
Canonical SMILES:  O=C1C[C@H](C)[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C
Standard InCHI:  InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1
Standard InCHIKey:  UXYRZJKIQKRJCF-TZPFWLJSSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4244

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 0.9846 NPC321732
High Similarity 0.9846 NPC324607
High Similarity 0.9701 NPC310766
High Similarity 0.9275 NPC472854
High Similarity 0.9265 NPC156277
High Similarity 0.9265 NPC151018
High Similarity 0.9265 NPC320549
High Similarity 0.9265 NPC58057
High Similarity 0.9254 NPC327728
High Similarity 0.9254 NPC6120
High Similarity 0.9254 NPC131892
High Similarity 0.9254 NPC213178
High Similarity 0.913 NPC232112
High Similarity 0.9 NPC254340
High Similarity 0.8986 NPC89310
High Similarity 0.8873 NPC174964
High Similarity 0.8873 NPC195155
High Similarity 0.8873 NPC27349
High Similarity 0.8873 NPC125767
High Similarity 0.8873 NPC273366
High Similarity 0.8873 NPC24014
High Similarity 0.8873 NPC21220
High Similarity 0.8873 NPC97534
High Similarity 0.8784 NPC470609
High Similarity 0.875 NPC475742
High Similarity 0.875 NPC472486
High Similarity 0.875 NPC472487
High Similarity 0.875 NPC5767
High Similarity 0.8732 NPC133922
High Similarity 0.8732 NPC167702
High Similarity 0.8732 NPC280026
High Similarity 0.8714 NPC473267
High Similarity 0.8696 NPC319671
High Similarity 0.8696 NPC469941
High Similarity 0.8696 NPC476734
High Similarity 0.8696 NPC252032
High Similarity 0.8667 NPC469745
High Similarity 0.863 NPC180199
High Similarity 0.863 NPC477919
High Similarity 0.863 NPC475031
High Similarity 0.863 NPC221420
High Similarity 0.863 NPC23884
High Similarity 0.863 NPC264602
High Similarity 0.8611 NPC159789
High Similarity 0.8611 NPC212733
High Similarity 0.8571 NPC476731
High Similarity 0.8571 NPC477929
High Similarity 0.8553 NPC317066
High Similarity 0.8553 NPC328007
High Similarity 0.8551 NPC180777
High Similarity 0.8551 NPC474954
High Similarity 0.8551 NPC473225
High Similarity 0.8551 NPC260319
High Similarity 0.8551 NPC2568
High Similarity 0.8551 NPC103647
High Similarity 0.8514 NPC476732
High Similarity 0.8514 NPC199965
High Similarity 0.8514 NPC185465
High Similarity 0.8507 NPC159654
High Similarity 0.8507 NPC167995
High Similarity 0.8507 NPC118937
High Similarity 0.8507 NPC281540
Intermediate Similarity 0.8493 NPC4209
Intermediate Similarity 0.8442 NPC327451
Intermediate Similarity 0.8421 NPC77311
Intermediate Similarity 0.84 NPC472310
Intermediate Similarity 0.84 NPC320144
Intermediate Similarity 0.8378 NPC143133
Intermediate Similarity 0.8378 NPC298168
Intermediate Similarity 0.8378 NPC474404
Intermediate Similarity 0.8378 NPC207010
Intermediate Similarity 0.8378 NPC317913
Intermediate Similarity 0.8356 NPC472311
Intermediate Similarity 0.8333 NPC68426
Intermediate Similarity 0.8333 NPC477229
Intermediate Similarity 0.8333 NPC282905
Intermediate Similarity 0.831 NPC108131
Intermediate Similarity 0.831 NPC477850
Intermediate Similarity 0.8289 NPC472853
Intermediate Similarity 0.8267 NPC324700
Intermediate Similarity 0.8267 NPC34046
Intermediate Similarity 0.8267 NPC224802
Intermediate Similarity 0.8267 NPC80089
Intermediate Similarity 0.8267 NPC171426
Intermediate Similarity 0.8261 NPC42060
Intermediate Similarity 0.8261 NPC44122
Intermediate Similarity 0.8219 NPC168511
Intermediate Similarity 0.8219 NPC130011
Intermediate Similarity 0.8219 NPC477930
Intermediate Similarity 0.8219 NPC159325
Intermediate Similarity 0.8205 NPC245866
Intermediate Similarity 0.8194 NPC290058
Intermediate Similarity 0.8194 NPC126642
Intermediate Similarity 0.8194 NPC469940
Intermediate Similarity 0.8169 NPC64466
Intermediate Similarity 0.8169 NPC474962
Intermediate Similarity 0.8158 NPC31302
Intermediate Similarity 0.8158 NPC245029
Intermediate Similarity 0.8158 NPC201459
Intermediate Similarity 0.8158 NPC52951
Intermediate Similarity 0.8158 NPC201276
Intermediate Similarity 0.8158 NPC80891
Intermediate Similarity 0.8143 NPC472984
Intermediate Similarity 0.8133 NPC477918
Intermediate Similarity 0.8125 NPC474448
Intermediate Similarity 0.8125 NPC476727
Intermediate Similarity 0.8125 NPC476726
Intermediate Similarity 0.8116 NPC243469
Intermediate Similarity 0.8116 NPC475943
Intermediate Similarity 0.8116 NPC190827
Intermediate Similarity 0.8108 NPC267753
Intermediate Similarity 0.8101 NPC82902
Intermediate Similarity 0.8088 NPC114891
Intermediate Similarity 0.8082 NPC474123
Intermediate Similarity 0.8082 NPC81759
Intermediate Similarity 0.8077 NPC289486
Intermediate Similarity 0.8077 NPC30583
Intermediate Similarity 0.8077 NPC145143
Intermediate Similarity 0.8077 NPC477858
Intermediate Similarity 0.8077 NPC61107
Intermediate Similarity 0.8077 NPC477935
Intermediate Similarity 0.8077 NPC46881
Intermediate Similarity 0.803 NPC476735
Intermediate Similarity 0.8026 NPC329117
Intermediate Similarity 0.8 NPC477933
Intermediate Similarity 0.8 NPC477932
Intermediate Similarity 0.8 NPC477931
Intermediate Similarity 0.8 NPC108840
Intermediate Similarity 0.8 NPC474218
Intermediate Similarity 0.8 NPC268736
Intermediate Similarity 0.7975 NPC472498
Intermediate Similarity 0.7975 NPC472743
Intermediate Similarity 0.7975 NPC217559
Intermediate Similarity 0.7975 NPC472744
Intermediate Similarity 0.7975 NPC259173
Intermediate Similarity 0.7975 NPC475726
Intermediate Similarity 0.7975 NPC268578
Intermediate Similarity 0.7975 NPC292458
Intermediate Similarity 0.7949 NPC58631
Intermediate Similarity 0.7949 NPC474484
Intermediate Similarity 0.7949 NPC103754
Intermediate Similarity 0.7949 NPC12933
Intermediate Similarity 0.7941 NPC148174
Intermediate Similarity 0.7941 NPC71460
Intermediate Similarity 0.7941 NPC218585
Intermediate Similarity 0.7917 NPC196197
Intermediate Similarity 0.7917 NPC477820
Intermediate Similarity 0.7901 NPC80590
Intermediate Similarity 0.7901 NPC472272
Intermediate Similarity 0.7901 NPC469994
Intermediate Similarity 0.7895 NPC149249
Intermediate Similarity 0.7895 NPC472746
Intermediate Similarity 0.7895 NPC106078
Intermediate Similarity 0.7887 NPC474221
Intermediate Similarity 0.7887 NPC63190
Intermediate Similarity 0.7887 NPC130459
Intermediate Similarity 0.7887 NPC478180
Intermediate Similarity 0.7875 NPC471044
Intermediate Similarity 0.7875 NPC475745
Intermediate Similarity 0.7875 NPC50438
Intermediate Similarity 0.7875 NPC474482
Intermediate Similarity 0.7875 NPC161423
Intermediate Similarity 0.7875 NPC329043
Intermediate Similarity 0.7875 NPC227064
Intermediate Similarity 0.7875 NPC263974
Intermediate Similarity 0.7875 NPC474233
Intermediate Similarity 0.7875 NPC321187
Intermediate Similarity 0.7875 NPC473336
Intermediate Similarity 0.7875 NPC474996
Intermediate Similarity 0.7875 NPC58841
Intermediate Similarity 0.7867 NPC179858
Intermediate Similarity 0.7867 NPC477934
Intermediate Similarity 0.7848 NPC477936
Intermediate Similarity 0.7848 NPC268040
Intermediate Similarity 0.7848 NPC170985
Intermediate Similarity 0.7848 NPC121121
Intermediate Similarity 0.7848 NPC110780
Intermediate Similarity 0.7821 NPC477851
Intermediate Similarity 0.7821 NPC261616
Intermediate Similarity 0.7821 NPC164999
Intermediate Similarity 0.7808 NPC232925
Intermediate Similarity 0.7808 NPC63588
Intermediate Similarity 0.7808 NPC251201
Intermediate Similarity 0.7805 NPC317590
Intermediate Similarity 0.7805 NPC134197
Intermediate Similarity 0.7792 NPC26029
Intermediate Similarity 0.7778 NPC469724
Intermediate Similarity 0.7778 NPC478228
Intermediate Similarity 0.7778 NPC31187
Intermediate Similarity 0.7778 NPC76518
Intermediate Similarity 0.7778 NPC292553
Intermediate Similarity 0.7778 NPC281203
Intermediate Similarity 0.7778 NPC100917
Intermediate Similarity 0.775 NPC86370
Intermediate Similarity 0.775 NPC175410
Intermediate Similarity 0.7746 NPC142712
Intermediate Similarity 0.7738 NPC476296
Intermediate Similarity 0.7727 NPC143597
Intermediate Similarity 0.7727 NPC151464
Intermediate Similarity 0.7722 NPC50658

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  304.24
ALogP  0.0889
MLogP  3.44
XLogP  5.006
HDA  2
HBD  1
Rotatable Bonds  4
TPSA  37.3
RO5 Violation  1