Drug Information

Drug ID:  NPD1349
Drug Name:  Trimethoprim Hydrochloride
Molecular Formula:  C14H18N4O3.ClH
Canonical SMILES:  COc1cc(cc(c1OC)OC)Cc1c[nH]c(=N)[nH]c1=N.Cl
Standard InCHI:  InChI=1S/C14H18N4O3.ClH/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;/h5-7H,4H2,1-3H3,(H4,15,16,17,18);1H
Standard InCHIKey:  YLCCEQZHUHUYPA-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1349

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
Intermediate Similarity 0.8252 NPC262641
Intermediate Similarity 0.8028 NPC105513
Intermediate Similarity 0.795 NPC247251
Intermediate Similarity 0.7862 NPC291847
Intermediate Similarity 0.7834 NPC13397
Intermediate Similarity 0.7639 NPC298486
Intermediate Similarity 0.7468 NPC296898
Intermediate Similarity 0.7467 NPC476570
Intermediate Similarity 0.7429 NPC204120
Intermediate Similarity 0.7403 NPC214036
Intermediate Similarity 0.7403 NPC113236
Intermediate Similarity 0.7362 NPC292003
Intermediate Similarity 0.7343 NPC120075
Intermediate Similarity 0.7326 NPC181905
Intermediate Similarity 0.731 NPC254053
Intermediate Similarity 0.7301 NPC114124
Intermediate Similarity 0.7286 NPC203924
Intermediate Similarity 0.7266 NPC165386
Intermediate Similarity 0.726 NPC183262
Intermediate Similarity 0.7255 NPC160692
Intermediate Similarity 0.7241 NPC15805
Intermediate Similarity 0.7241 NPC254625
Intermediate Similarity 0.7241 NPC475961
Intermediate Similarity 0.7239 NPC127402
Intermediate Similarity 0.72 NPC301713
Intermediate Similarity 0.719 NPC118419
Intermediate Similarity 0.7179 NPC253429
Intermediate Similarity 0.7172 NPC63083
Intermediate Similarity 0.7169 NPC190931
Intermediate Similarity 0.7153 NPC123948
Intermediate Similarity 0.7143 NPC472596
Intermediate Similarity 0.7143 NPC473934
Intermediate Similarity 0.7123 NPC308217
Intermediate Similarity 0.7108 NPC169742
Intermediate Similarity 0.7108 NPC107602
Intermediate Similarity 0.7105 NPC471306
Intermediate Similarity 0.7105 NPC471321
Intermediate Similarity 0.7103 NPC52464
Intermediate Similarity 0.7103 NPC304208
Intermediate Similarity 0.7095 NPC477886
Intermediate Similarity 0.7089 NPC77572
Intermediate Similarity 0.7081 NPC110337
Intermediate Similarity 0.7059 NPC160193
Intermediate Similarity 0.7055 NPC59907
Intermediate Similarity 0.7055 NPC37144
Intermediate Similarity 0.7051 NPC237227
Intermediate Similarity 0.7051 NPC11147
Intermediate Similarity 0.7047 NPC194626
Intermediate Similarity 0.7047 NPC261661
Intermediate Similarity 0.7044 NPC323204
Intermediate Similarity 0.7039 NPC153990
Intermediate Similarity 0.7039 NPC172403
Intermediate Similarity 0.7025 NPC299583
Intermediate Similarity 0.7019 NPC244338
Intermediate Similarity 0.7013 NPC114102
Intermediate Similarity 0.7007 NPC119949
Intermediate Similarity 0.7007 NPC20674
Intermediate Similarity 0.7 NPC233526
Intermediate Similarity 0.7 NPC282496
Intermediate Similarity 0.7 NPC13020
Intermediate Similarity 0.7 NPC140359
Remote Similarity 0.6993 NPC155838
Remote Similarity 0.6982 NPC22014
Remote Similarity 0.698 NPC211992
Remote Similarity 0.698 NPC49341
Remote Similarity 0.6971 NPC228040
Remote Similarity 0.6968 NPC93882
Remote Similarity 0.6968 NPC214869
Remote Similarity 0.6968 NPC130595
Remote Similarity 0.6962 NPC14600
Remote Similarity 0.6962 NPC312770
Remote Similarity 0.6962 NPC160607
Remote Similarity 0.6962 NPC204848
Remote Similarity 0.6962 NPC254610
Remote Similarity 0.6962 NPC41473
Remote Similarity 0.6962 NPC193528
Remote Similarity 0.6948 NPC35961
Remote Similarity 0.6948 NPC195749
Remote Similarity 0.6948 NPC52029
Remote Similarity 0.6939 NPC474612
Remote Similarity 0.6936 NPC204947
Remote Similarity 0.6933 NPC264885
Remote Similarity 0.6933 NPC41562
Remote Similarity 0.6928 NPC186898
Remote Similarity 0.6928 NPC218575
Remote Similarity 0.6923 NPC313737
Remote Similarity 0.6923 NPC285078
Remote Similarity 0.6923 NPC6854
Remote Similarity 0.6918 NPC193067
Remote Similarity 0.6913 NPC166759
Remote Similarity 0.6908 NPC116907
Remote Similarity 0.6908 NPC251855
Remote Similarity 0.6908 NPC17943
Remote Similarity 0.6908 NPC105925
Remote Similarity 0.6908 NPC221077
Remote Similarity 0.6908 NPC475169
Remote Similarity 0.6908 NPC234400
Remote Similarity 0.6908 NPC233410
Remote Similarity 0.6908 NPC472093
Remote Similarity 0.6908 NPC208950
Remote Similarity 0.6908 NPC117214
Remote Similarity 0.6908 NPC193544
Remote Similarity 0.6908 NPC60885
Remote Similarity 0.6908 NPC298757
Remote Similarity 0.6908 NPC203133
Remote Similarity 0.6908 NPC57490
Remote Similarity 0.6903 NPC326599
Remote Similarity 0.6903 NPC329595
Remote Similarity 0.6901 NPC50380
Remote Similarity 0.6901 NPC179250
Remote Similarity 0.6887 NPC220598
Remote Similarity 0.6887 NPC197757
Remote Similarity 0.6887 NPC228922
Remote Similarity 0.6887 NPC165375
Remote Similarity 0.6879 NPC286790
Remote Similarity 0.6879 NPC218530
Remote Similarity 0.6879 NPC188120
Remote Similarity 0.6879 NPC53146
Remote Similarity 0.6872 NPC195538
Remote Similarity 0.6871 NPC5462
Remote Similarity 0.6871 NPC33271
Remote Similarity 0.6871 NPC259638
Remote Similarity 0.6867 NPC285289
Remote Similarity 0.6863 NPC214406
Remote Similarity 0.6863 NPC9891
Remote Similarity 0.6863 NPC78974
Remote Similarity 0.6863 NPC44748
Remote Similarity 0.6863 NPC285725
Remote Similarity 0.6863 NPC223136
Remote Similarity 0.6863 NPC244364
Remote Similarity 0.6863 NPC28730
Remote Similarity 0.6863 NPC112571
Remote Similarity 0.6863 NPC88297
Remote Similarity 0.6863 NPC103823
Remote Similarity 0.6863 NPC76451
Remote Similarity 0.6863 NPC18924
Remote Similarity 0.6863 NPC186845
Remote Similarity 0.6863 NPC223953
Remote Similarity 0.6863 NPC50683
Remote Similarity 0.6846 NPC222175
Remote Similarity 0.6846 NPC474565
Remote Similarity 0.6845 NPC226941
Remote Similarity 0.6845 NPC475557
Remote Similarity 0.6845 NPC14005
Remote Similarity 0.6845 NPC108957
Remote Similarity 0.6842 NPC206487
Remote Similarity 0.6842 NPC5796
Remote Similarity 0.6839 NPC469951
Remote Similarity 0.6839 NPC469963
Remote Similarity 0.6835 NPC475828
Remote Similarity 0.6833 NPC476202
Remote Similarity 0.6832 NPC326241
Remote Similarity 0.6826 NPC474852
Remote Similarity 0.6826 NPC476568
Remote Similarity 0.6826 NPC474560
Remote Similarity 0.6824 NPC235628
Remote Similarity 0.6821 NPC262253
Remote Similarity 0.6821 NPC71579
Remote Similarity 0.6821 NPC270326
Remote Similarity 0.6821 NPC473411
Remote Similarity 0.6818 NPC74817
Remote Similarity 0.6818 NPC246620
Remote Similarity 0.6818 NPC99798
Remote Similarity 0.6818 NPC159968
Remote Similarity 0.6818 NPC473092
Remote Similarity 0.6818 NPC127587
Remote Similarity 0.6818 NPC293054
Remote Similarity 0.6818 NPC82679
Remote Similarity 0.6818 NPC471986
Remote Similarity 0.6818 NPC169474
Remote Similarity 0.6818 NPC8050
Remote Similarity 0.6818 NPC473093
Remote Similarity 0.6818 NPC236791
Remote Similarity 0.6818 NPC242032
Remote Similarity 0.6818 NPC189248
Remote Similarity 0.6818 NPC124452
Remote Similarity 0.6818 NPC474119
Remote Similarity 0.6818 NPC282000
Remote Similarity 0.6818 NPC324112
Remote Similarity 0.6818 NPC251571
Remote Similarity 0.6818 NPC210355
Remote Similarity 0.6818 NPC157740
Remote Similarity 0.6818 NPC191302
Remote Similarity 0.6818 NPC202904
Remote Similarity 0.681 NPC294249
Remote Similarity 0.68 NPC199023
Remote Similarity 0.68 NPC473748
Remote Similarity 0.6797 NPC265483
Remote Similarity 0.6797 NPC173608
Remote Similarity 0.6797 NPC82483
Remote Similarity 0.6797 NPC299584
Remote Similarity 0.6795 NPC255550
Remote Similarity 0.6795 NPC308885
Remote Similarity 0.6792 NPC167944
Remote Similarity 0.6792 NPC231884
Remote Similarity 0.6792 NPC174754
Remote Similarity 0.6792 NPC42793
Remote Similarity 0.6786 NPC292792
Remote Similarity 0.6784 NPC329837
Remote Similarity 0.6783 NPC82016

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  290.14
ALogP  -0.3828
MLogP  2.23
XLogP  2.173
HDA  4
HBD  4
Rotatable Bonds  8
TPSA  99.45
RO5 Violation  0