Drug Information

Drug ID:  NPD1883
Drug Name:  Diazepam
Molecular Formula:  C16H13ClN2O
Canonical SMILES:  Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1
Standard InCHI:  InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
Standard InCHIKey:  AAOVKJBEBIDNHE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1883

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 NPC325599
Intermediate Similarity 0.8244 NPC317564
Intermediate Similarity 0.7571 NPC476950
Intermediate Similarity 0.7353 NPC192209
Intermediate Similarity 0.7313 NPC187036
Intermediate Similarity 0.7313 NPC296163
Remote Similarity 0.6978 NPC313449
Remote Similarity 0.6968 NPC470440
Remote Similarity 0.6957 NPC477591
Remote Similarity 0.6929 NPC228515
Remote Similarity 0.6913 NPC313352
Remote Similarity 0.6867 NPC116961
Remote Similarity 0.6835 NPC288232
Remote Similarity 0.6831 NPC316582
Remote Similarity 0.6815 NPC302790
Remote Similarity 0.679 NPC477887
Remote Similarity 0.6779 NPC53044
Remote Similarity 0.6757 NPC9856
Remote Similarity 0.6753 NPC32002
Remote Similarity 0.6753 NPC315348
Remote Similarity 0.671 NPC238499
Remote Similarity 0.6708 NPC281094
Remote Similarity 0.6689 NPC184437
Remote Similarity 0.6645 NPC300299
Remote Similarity 0.6645 NPC471574
Remote Similarity 0.6622 NPC478079
Remote Similarity 0.6622 NPC469949
Remote Similarity 0.6617 NPC291610
Remote Similarity 0.6604 NPC254798
Remote Similarity 0.6543 NPC117032
Remote Similarity 0.6519 NPC136002
Remote Similarity 0.6503 NPC471132
Remote Similarity 0.65 NPC478186
Remote Similarity 0.6485 NPC104345
Remote Similarity 0.6467 NPC194881
Remote Similarity 0.6458 NPC264580
Remote Similarity 0.6438 NPC257490
Remote Similarity 0.6429 NPC478182
Remote Similarity 0.6424 NPC476464
Remote Similarity 0.6414 NPC226143
Remote Similarity 0.64 NPC314919
Remote Similarity 0.6395 NPC161861
Remote Similarity 0.6391 NPC471130
Remote Similarity 0.6389 NPC148140
Remote Similarity 0.6387 NPC198988
Remote Similarity 0.6374 NPC65080
Remote Similarity 0.6369 NPC88970
Remote Similarity 0.6364 NPC162417
Remote Similarity 0.6364 NPC316104
Remote Similarity 0.6352 NPC277157
Remote Similarity 0.6347 NPC293487
Remote Similarity 0.6345 NPC81561
Remote Similarity 0.6345 NPC220698
Remote Similarity 0.6338 NPC314141
Remote Similarity 0.6329 NPC104483
Remote Similarity 0.6329 NPC2823
Remote Similarity 0.6327 NPC475915
Remote Similarity 0.631 NPC68650
Remote Similarity 0.6306 NPC83214
Remote Similarity 0.6306 NPC469560
Remote Similarity 0.6306 NPC314102
Remote Similarity 0.6306 NPC251722
Remote Similarity 0.6301 NPC54102
Remote Similarity 0.6301 NPC162689
Remote Similarity 0.6301 NPC177684
Remote Similarity 0.6301 NPC291962
Remote Similarity 0.6287 NPC299594
Remote Similarity 0.6282 NPC471123
Remote Similarity 0.6282 NPC267508
Remote Similarity 0.628 NPC66936
Remote Similarity 0.628 NPC40070
Remote Similarity 0.6267 NPC122718
Remote Similarity 0.6266 NPC207554
Remote Similarity 0.6259 NPC258531
Remote Similarity 0.6259 NPC112373
Remote Similarity 0.6259 NPC161956
Remote Similarity 0.6259 NPC20322
Remote Similarity 0.6258 NPC109787
Remote Similarity 0.6257 NPC478183
Remote Similarity 0.6243 NPC355
Remote Similarity 0.6242 NPC122553
Remote Similarity 0.6242 NPC325252
Remote Similarity 0.6235 NPC478184
Remote Similarity 0.6234 NPC207428
Remote Similarity 0.6231 NPC78154
Remote Similarity 0.623 NPC316018
Remote Similarity 0.623 NPC316359
Remote Similarity 0.623 NPC315617
Remote Similarity 0.623 NPC314058
Remote Similarity 0.6226 NPC470301
Remote Similarity 0.6226 NPC22082
Remote Similarity 0.6226 NPC186284
Remote Similarity 0.6225 NPC250476
Remote Similarity 0.6216 NPC215519
Remote Similarity 0.6215 NPC91179
Remote Similarity 0.6214 NPC77294
Remote Similarity 0.6214 NPC164802
Remote Similarity 0.6211 NPC20144
Remote Similarity 0.6209 NPC187231
Remote Similarity 0.6207 NPC125416
Remote Similarity 0.6203 NPC471312
Remote Similarity 0.6193 NPC28848
Remote Similarity 0.6193 NPC14325
Remote Similarity 0.6185 NPC91895
Remote Similarity 0.6176 NPC478185
Remote Similarity 0.6176 NPC191863
Remote Similarity 0.6176 NPC289776
Remote Similarity 0.6176 NPC133470
Remote Similarity 0.6167 NPC133003
Remote Similarity 0.6164 NPC130251
Remote Similarity 0.6163 NPC56233
Remote Similarity 0.6158 NPC11126
Remote Similarity 0.6154 NPC276085
Remote Similarity 0.6149 NPC473868
Remote Similarity 0.6149 NPC63157
Remote Similarity 0.6145 NPC471609
Remote Similarity 0.6145 NPC471785
Remote Similarity 0.6144 NPC150863
Remote Similarity 0.614 NPC271734
Remote Similarity 0.614 NPC21174
Remote Similarity 0.614 NPC271797
Remote Similarity 0.6133 NPC94752
Remote Similarity 0.6129 NPC476687
Remote Similarity 0.6129 NPC22079
Remote Similarity 0.6129 NPC476689
Remote Similarity 0.6129 NPC476685
Remote Similarity 0.6125 NPC88097
Remote Similarity 0.6125 NPC471164
Remote Similarity 0.6125 NPC301760
Remote Similarity 0.6115 NPC473418
Remote Similarity 0.6111 NPC228835
Remote Similarity 0.6108 NPC200214
Remote Similarity 0.6103 NPC75496
Remote Similarity 0.6101 NPC150259
Remote Similarity 0.6101 NPC65408
Remote Similarity 0.6096 NPC470544
Remote Similarity 0.6095 NPC222029
Remote Similarity 0.6093 NPC46358
Remote Similarity 0.6092 NPC32534
Remote Similarity 0.6087 NPC2949
Remote Similarity 0.6087 NPC59084
Remote Similarity 0.6082 NPC476231
Remote Similarity 0.608 NPC469529
Remote Similarity 0.6074 NPC472258
Remote Similarity 0.6065 NPC231382
Remote Similarity 0.6062 NPC315051
Remote Similarity 0.6058 NPC326792
Remote Similarity 0.6056 NPC470205
Remote Similarity 0.6054 NPC470545
Remote Similarity 0.6044 NPC141612
Remote Similarity 0.6044 NPC17273
Remote Similarity 0.6044 NPC135601
Remote Similarity 0.6043 NPC275467
Remote Similarity 0.6038 NPC218268
Remote Similarity 0.6034 NPC16659
Remote Similarity 0.6028 NPC79618
Remote Similarity 0.6023 NPC81229
Remote Similarity 0.6023 NPC255229
Remote Similarity 0.6022 NPC21429
Remote Similarity 0.6022 NPC470003
Remote Similarity 0.6014 NPC470546
Remote Similarity 0.6013 NPC252794
Remote Similarity 0.6012 NPC190296
Remote Similarity 0.6012 NPC477890
Remote Similarity 0.6012 NPC295021
Remote Similarity 0.6011 NPC473380
Remote Similarity 0.6011 NPC240088
Remote Similarity 0.6011 NPC134657
Remote Similarity 0.6 NPC212799
Remote Similarity 0.6 NPC472245
Remote Similarity 0.6 NPC314431
Remote Similarity 0.6 NPC280807
Remote Similarity 0.5989 NPC469938
Remote Similarity 0.5988 NPC115611
Remote Similarity 0.5987 NPC256893
Remote Similarity 0.5987 NPC475450
Remote Similarity 0.5986 NPC147957
Remote Similarity 0.5986 NPC313673
Remote Similarity 0.5978 NPC248462
Remote Similarity 0.5978 NPC12649
Remote Similarity 0.5978 NPC265710
Remote Similarity 0.5977 NPC114637
Remote Similarity 0.5977 NPC470509
Remote Similarity 0.5976 NPC476297
Remote Similarity 0.5974 NPC250361
Remote Similarity 0.5974 NPC145754
Remote Similarity 0.5971 NPC471310
Remote Similarity 0.5967 NPC83381
Remote Similarity 0.5964 NPC21605
Remote Similarity 0.5964 NPC470111
Remote Similarity 0.5962 NPC473587
Remote Similarity 0.596 NPC268534
Remote Similarity 0.5957 NPC473498
Remote Similarity 0.5957 NPC45033
Remote Similarity 0.5956 NPC311858
Remote Similarity 0.5954 NPC189116
Remote Similarity 0.5951 NPC476454
Remote Similarity 0.5946 NPC324091
Remote Similarity 0.5941 NPC84317
Remote Similarity 0.5941 NPC115049

Drug Structure

External Identifiers

TTD   DNC000549; DIB012028
DrugBank   DB00829
ChEMBL   CHEMBL12
IUPHAR/BPS   3364
PharmaGKB   PA449283
KEGG Drug   D00293
PubChem CID   3016
ChEBI   49575
CAS Number  439-14-5

Drug Properties

Molecular Weight  284.07
ALogP  -0.0956
MLogP  2.78
XLogP  3.852
HDA  3
HBD  0
Rotatable Bonds  3
TPSA  32.67
RO5 Violation  0