Drug Information

Drug ID:  NPD948
Drug Name:  Drometrizole
Molecular Formula:  C13H11N3O
Canonical SMILES:  Cc1ccc(c(c1)n1nc2c(n1)cccc2)O
Standard InCHI:  InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3
Standard InCHIKey:  MCPKSFINULVDNX-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD948

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 0.7937 NPC477889
Intermediate Similarity 0.76 NPC314573
Intermediate Similarity 0.7412 NPC477888
Intermediate Similarity 0.716 NPC120798
Intermediate Similarity 0.7118 NPC79911
Intermediate Similarity 0.7019 NPC314113
Remote Similarity 0.6989 NPC472193
Remote Similarity 0.6943 NPC313466
Remote Similarity 0.6798 NPC95898
Remote Similarity 0.6789 NPC476167
Remote Similarity 0.6788 NPC477890
Remote Similarity 0.6786 NPC288445
Remote Similarity 0.6737 NPC192315
Remote Similarity 0.6712 NPC255721
Remote Similarity 0.6667 NPC110741
Remote Similarity 0.6667 NPC36168
Remote Similarity 0.6648 NPC478032
Remote Similarity 0.6629 NPC314940
Remote Similarity 0.6629 NPC473764
Remote Similarity 0.6615 NPC18487
Remote Similarity 0.6573 NPC44161
Remote Similarity 0.6561 NPC324149
Remote Similarity 0.6546 NPC470586
Remote Similarity 0.6527 NPC60553
Remote Similarity 0.6503 NPC72980
Remote Similarity 0.6486 NPC212535
Remote Similarity 0.648 NPC1527
Remote Similarity 0.6467 NPC478023
Remote Similarity 0.6464 NPC474409
Remote Similarity 0.6447 NPC222982
Remote Similarity 0.6447 NPC317031
Remote Similarity 0.6424 NPC126637
Remote Similarity 0.6417 NPC94943
Remote Similarity 0.6413 NPC88363
Remote Similarity 0.6404 NPC118511
Remote Similarity 0.6368 NPC471593
Remote Similarity 0.6364 NPC190007
Remote Similarity 0.6364 NPC470500
Remote Similarity 0.6355 NPC250448
Remote Similarity 0.6344 NPC118776
Remote Similarity 0.634 NPC474188
Remote Similarity 0.633 NPC42591
Remote Similarity 0.6319 NPC252590
Remote Similarity 0.6316 NPC246700
Remote Similarity 0.6316 NPC128751
Remote Similarity 0.6313 NPC223427
Remote Similarity 0.6305 NPC294620
Remote Similarity 0.6301 NPC311660
Remote Similarity 0.6294 NPC470403
Remote Similarity 0.6294 NPC470404
Remote Similarity 0.6294 NPC470394
Remote Similarity 0.6292 NPC231862
Remote Similarity 0.6283 NPC106833
Remote Similarity 0.6283 NPC469497
Remote Similarity 0.6276 NPC128823
Remote Similarity 0.6265 NPC122542
Remote Similarity 0.6262 NPC293151
Remote Similarity 0.6257 NPC191863
Remote Similarity 0.6257 NPC144114
Remote Similarity 0.6257 NPC289776
Remote Similarity 0.6257 NPC133470
Remote Similarity 0.6256 NPC153042
Remote Similarity 0.6242 NPC76327
Remote Similarity 0.6242 NPC184437
Remote Similarity 0.623 NPC242928
Remote Similarity 0.623 NPC230805
Remote Similarity 0.6229 NPC153769
Remote Similarity 0.6221 NPC470395
Remote Similarity 0.6218 NPC99666
Remote Similarity 0.6201 NPC25899
Remote Similarity 0.62 NPC472259
Remote Similarity 0.62 NPC153690
Remote Similarity 0.6186 NPC230403
Remote Similarity 0.6185 NPC161292
Remote Similarity 0.6183 NPC96890
Remote Similarity 0.618 NPC26850
Remote Similarity 0.6176 NPC470090
Remote Similarity 0.6173 NPC267928
Remote Similarity 0.617 NPC474798
Remote Similarity 0.6167 NPC57105
Remote Similarity 0.615 NPC475774
Remote Similarity 0.615 NPC476138
Remote Similarity 0.615 NPC53144
Remote Similarity 0.615 NPC245816
Remote Similarity 0.6149 NPC257142
Remote Similarity 0.6139 NPC283117
Remote Similarity 0.6135 NPC470799
Remote Similarity 0.6135 NPC62995
Remote Similarity 0.6135 NPC8022
Remote Similarity 0.6133 NPC37584
Remote Similarity 0.6133 NPC159319
Remote Similarity 0.6124 NPC141353
Remote Similarity 0.6122 NPC194967
Remote Similarity 0.6119 NPC475070
Remote Similarity 0.6118 NPC9336
Remote Similarity 0.6117 NPC249662
Remote Similarity 0.6114 NPC144381
Remote Similarity 0.6111 NPC306366
Remote Similarity 0.6111 NPC285635
Remote Similarity 0.6108 NPC471294
Remote Similarity 0.6105 NPC204717
Remote Similarity 0.6105 NPC203635
Remote Similarity 0.6102 NPC26872
Remote Similarity 0.61 NPC470678
Remote Similarity 0.6099 NPC204179
Remote Similarity 0.6096 NPC219848
Remote Similarity 0.6094 NPC46580
Remote Similarity 0.6093 NPC24101
Remote Similarity 0.6093 NPC96224
Remote Similarity 0.6091 NPC243834
Remote Similarity 0.6091 NPC70956
Remote Similarity 0.609 NPC82963
Remote Similarity 0.6089 NPC471736
Remote Similarity 0.6085 NPC314394
Remote Similarity 0.6085 NPC51388
Remote Similarity 0.608 NPC19872
Remote Similarity 0.6078 NPC209769
Remote Similarity 0.6078 NPC473181
Remote Similarity 0.6077 NPC315214
Remote Similarity 0.6077 NPC48192
Remote Similarity 0.6077 NPC47298
Remote Similarity 0.6077 NPC177404
Remote Similarity 0.6073 NPC313886
Remote Similarity 0.6073 NPC314002
Remote Similarity 0.6073 NPC241025
Remote Similarity 0.6067 NPC24060
Remote Similarity 0.6065 NPC118202
Remote Similarity 0.6064 NPC256268
Remote Similarity 0.6061 NPC306376
Remote Similarity 0.6059 NPC314252
Remote Similarity 0.6059 NPC204156
Remote Similarity 0.6056 NPC103250
Remote Similarity 0.6053 NPC243058
Remote Similarity 0.6053 NPC220765
Remote Similarity 0.6051 NPC38458
Remote Similarity 0.6051 NPC311737
Remote Similarity 0.6049 NPC199667
Remote Similarity 0.6049 NPC5145
Remote Similarity 0.6048 NPC473179
Remote Similarity 0.6045 NPC284348
Remote Similarity 0.6044 NPC32028
Remote Similarity 0.6042 NPC171171
Remote Similarity 0.6036 NPC166667
Remote Similarity 0.6033 NPC278874
Remote Similarity 0.6029 NPC314552
Remote Similarity 0.6029 NPC477111
Remote Similarity 0.6022 NPC208060
Remote Similarity 0.6021 NPC62069
Remote Similarity 0.602 NPC211813
Remote Similarity 0.6019 NPC294375
Remote Similarity 0.6011 NPC184964
Remote Similarity 0.601 NPC118228
Remote Similarity 0.601 NPC477113
Remote Similarity 0.6 NPC315829
Remote Similarity 0.599 NPC476319
Remote Similarity 0.599 NPC471603
Remote Similarity 0.599 NPC200836
Remote Similarity 0.5989 NPC224632
Remote Similarity 0.5989 NPC312872
Remote Similarity 0.5987 NPC147957
Remote Similarity 0.5981 NPC322064
Remote Similarity 0.598 NPC193777
Remote Similarity 0.5979 NPC42979
Remote Similarity 0.5978 NPC314861
Remote Similarity 0.5973 NPC178902
Remote Similarity 0.5971 NPC85273
Remote Similarity 0.5969 NPC48938
Remote Similarity 0.5968 NPC105758
Remote Similarity 0.5968 NPC476688
Remote Similarity 0.5968 NPC476686
Remote Similarity 0.5965 NPC47986
Remote Similarity 0.596 NPC231705
Remote Similarity 0.5959 NPC90415
Remote Similarity 0.5957 NPC224764
Remote Similarity 0.5957 NPC288943
Remote Similarity 0.5952 NPC91615
Remote Similarity 0.5941 NPC135887
Remote Similarity 0.5941 NPC475112
Remote Similarity 0.5941 NPC199277
Remote Similarity 0.5941 NPC475085
Remote Similarity 0.5941 NPC291535
Remote Similarity 0.5939 NPC329541
Remote Similarity 0.5938 NPC84478
Remote Similarity 0.5931 NPC476121
Remote Similarity 0.5931 NPC476124
Remote Similarity 0.593 NPC280853
Remote Similarity 0.593 NPC77555
Remote Similarity 0.5926 NPC283152
Remote Similarity 0.5926 NPC315631
Remote Similarity 0.5924 NPC317254
Remote Similarity 0.5921 NPC142297
Remote Similarity 0.5917 NPC474701
Remote Similarity 0.5916 NPC477891
Remote Similarity 0.5916 NPC206201
Remote Similarity 0.5915 NPC476249
Remote Similarity 0.5912 NPC116573
Remote Similarity 0.5909 NPC276517
Remote Similarity 0.5909 NPC195314
Remote Similarity 0.5907 NPC179287
Remote Similarity 0.5907 NPC295158

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  225.09
ALogP  0.1949
MLogP  2.45
XLogP  3.225
HDA  3
HBD  1
Rotatable Bonds  3
TPSA  50.42
RO5 Violation  0