Drug Information

Drug ID:  NPD1998
Drug Name:  Tetrazepam
Molecular Formula:  C16H17ClN2O
Canonical SMILES:  Clc1ccc2c(c1)C(=NCC(=O)N2C)C1=CCCCC1
Standard InCHI:  InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3
Standard InCHIKey:  IQWYAQCHYZHJOS-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1998

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 0.969 NPC325599
Intermediate Similarity 0.797 NPC317564
Intermediate Similarity 0.7324 NPC476950
Intermediate Similarity 0.7226 NPC192209
Intermediate Similarity 0.7059 NPC187036
Intermediate Similarity 0.7059 NPC296163
Intermediate Similarity 0.705 NPC228515
Remote Similarity 0.695 NPC316582
Remote Similarity 0.6892 NPC53044
Remote Similarity 0.6867 NPC116961
Remote Similarity 0.6859 NPC470440
Remote Similarity 0.6857 NPC313449
Remote Similarity 0.6852 NPC477591
Remote Similarity 0.68 NPC313352
Remote Similarity 0.6753 NPC32002
Remote Similarity 0.6753 NPC315348
Remote Similarity 0.6644 NPC9856
Remote Similarity 0.6622 NPC469949
Remote Similarity 0.6622 NPC478079
Remote Similarity 0.6605 NPC281094
Remote Similarity 0.6603 NPC238499
Remote Similarity 0.6596 NPC288232
Remote Similarity 0.6585 NPC477887
Remote Similarity 0.6585 NPC104345
Remote Similarity 0.6569 NPC302790
Remote Similarity 0.6503 NPC471132
Remote Similarity 0.65 NPC254798
Remote Similarity 0.6493 NPC291610
Remote Similarity 0.6471 NPC162417
Remote Similarity 0.6471 NPC316104
Remote Similarity 0.6471 NPC184437
Remote Similarity 0.6467 NPC194881
Remote Similarity 0.6458 NPC264580
Remote Similarity 0.6442 NPC117032
Remote Similarity 0.6433 NPC471574
Remote Similarity 0.6429 NPC300299
Remote Similarity 0.6429 NPC478182
Remote Similarity 0.6424 NPC476464
Remote Similarity 0.6414 NPC177684
Remote Similarity 0.6414 NPC291962
Remote Similarity 0.641 NPC469560
Remote Similarity 0.6407 NPC68650
Remote Similarity 0.6398 NPC478186
Remote Similarity 0.6395 NPC161861
Remote Similarity 0.6387 NPC267508
Remote Similarity 0.6387 NPC471123
Remote Similarity 0.6377 NPC20322
Remote Similarity 0.637 NPC258531
Remote Similarity 0.637 NPC161956
Remote Similarity 0.637 NPC112373
Remote Similarity 0.6369 NPC130251
Remote Similarity 0.6345 NPC81561
Remote Similarity 0.6338 NPC314141
Remote Similarity 0.6331 NPC77294
Remote Similarity 0.6329 NPC104483
Remote Similarity 0.6329 NPC301760
Remote Similarity 0.6312 NPC136002
Remote Similarity 0.6307 NPC314919
Remote Similarity 0.6306 NPC471312
Remote Similarity 0.6301 NPC226143
Remote Similarity 0.6287 NPC299594
Remote Similarity 0.6282 NPC198988
Remote Similarity 0.628 NPC40070
Remote Similarity 0.628 NPC66936
Remote Similarity 0.6279 NPC65080
Remote Similarity 0.6276 NPC148140
Remote Similarity 0.6266 NPC315051
Remote Similarity 0.625 NPC150863
Remote Similarity 0.625 NPC293487
Remote Similarity 0.625 NPC277157
Remote Similarity 0.6242 NPC122553
Remote Similarity 0.6234 NPC476687
Remote Similarity 0.6234 NPC207428
Remote Similarity 0.6234 NPC476689
Remote Similarity 0.6234 NPC476685
Remote Similarity 0.6233 NPC220698
Remote Similarity 0.6231 NPC78154
Remote Similarity 0.6226 NPC470301
Remote Similarity 0.6226 NPC22082
Remote Similarity 0.6226 NPC186284
Remote Similarity 0.6225 NPC250476
Remote Similarity 0.6216 NPC475915
Remote Similarity 0.6216 NPC257490
Remote Similarity 0.6215 NPC91179
Remote Similarity 0.6214 NPC164802
Remote Similarity 0.6211 NPC20144
Remote Similarity 0.6209 NPC187231
Remote Similarity 0.6203 NPC251722
Remote Similarity 0.6203 NPC314102
Remote Similarity 0.6203 NPC83214
Remote Similarity 0.6199 NPC471130
Remote Similarity 0.6194 NPC472258
Remote Similarity 0.6193 NPC28848
Remote Similarity 0.6193 NPC14325
Remote Similarity 0.6176 NPC88970
Remote Similarity 0.6163 NPC478183
Remote Similarity 0.6159 NPC109787
Remote Similarity 0.6159 NPC275467
Remote Similarity 0.6158 NPC11126
Remote Similarity 0.6149 NPC473868
Remote Similarity 0.6149 NPC63157
Remote Similarity 0.6149 NPC355
Remote Similarity 0.6145 NPC471609
Remote Similarity 0.6141 NPC316018
Remote Similarity 0.6141 NPC315617
Remote Similarity 0.6141 NPC314058
Remote Similarity 0.6141 NPC316359
Remote Similarity 0.614 NPC21174
Remote Similarity 0.614 NPC271734
Remote Similarity 0.614 NPC478184
Remote Similarity 0.614 NPC271797
Remote Similarity 0.6139 NPC325252
Remote Similarity 0.6135 NPC469525
Remote Similarity 0.6125 NPC88097
Remote Similarity 0.6125 NPC471164
Remote Similarity 0.6125 NPC2823
Remote Similarity 0.6111 NPC228835
Remote Similarity 0.6108 NPC200214
Remote Similarity 0.6107 NPC215519
Remote Similarity 0.6104 NPC314431
Remote Similarity 0.6104 NPC472245
Remote Similarity 0.6104 NPC280807
Remote Similarity 0.6103 NPC75496
Remote Similarity 0.6101 NPC150259
Remote Similarity 0.6101 NPC65408
Remote Similarity 0.6096 NPC313673
Remote Similarity 0.6096 NPC125416
Remote Similarity 0.6095 NPC222029
Remote Similarity 0.6092 NPC91895
Remote Similarity 0.6087 NPC2949
Remote Similarity 0.6087 NPC59084
Remote Similarity 0.6087 NPC471310
Remote Similarity 0.6082 NPC478185
Remote Similarity 0.6082 NPC133470
Remote Similarity 0.6082 NPC289776
Remote Similarity 0.6082 NPC191863
Remote Similarity 0.6081 NPC162689
Remote Similarity 0.6081 NPC54102
Remote Similarity 0.6077 NPC133003
Remote Similarity 0.6069 NPC56233
Remote Similarity 0.6065 NPC231382
Remote Similarity 0.6062 NPC207554
Remote Similarity 0.6059 NPC276085
Remote Similarity 0.6058 NPC326792
Remote Similarity 0.6053 NPC122718
Remote Similarity 0.6049 NPC469537
Remote Similarity 0.6044 NPC94752
Remote Similarity 0.604 NPC179605
Remote Similarity 0.604 NPC279385
Remote Similarity 0.6038 NPC218268
Remote Similarity 0.6036 NPC84317
Remote Similarity 0.6034 NPC16659
Remote Similarity 0.6026 NPC22079
Remote Similarity 0.6023 NPC143457
Remote Similarity 0.6023 NPC81229
Remote Similarity 0.6023 NPC255229
Remote Similarity 0.6022 NPC470003
Remote Similarity 0.6 NPC212799
Remote Similarity 0.6 NPC473418
Remote Similarity 0.6 NPC103292
Remote Similarity 0.6 NPC32534
Remote Similarity 0.6 NPC276949
Remote Similarity 0.6 NPC35850
Remote Similarity 0.5989 NPC469529
Remote Similarity 0.5988 NPC476231
Remote Similarity 0.5988 NPC154602
Remote Similarity 0.5988 NPC243756
Remote Similarity 0.5987 NPC46358
Remote Similarity 0.5986 NPC470544
Remote Similarity 0.5978 NPC248462
Remote Similarity 0.5978 NPC265710
Remote Similarity 0.5977 NPC470509
Remote Similarity 0.5976 NPC476297
Remote Similarity 0.5967 NPC471785
Remote Similarity 0.5967 NPC470205
Remote Similarity 0.5964 NPC21605
Remote Similarity 0.5964 NPC470111
Remote Similarity 0.596 NPC39818
Remote Similarity 0.5956 NPC135601
Remote Similarity 0.5956 NPC311858
Remote Similarity 0.5956 NPC141612
Remote Similarity 0.5956 NPC17273
Remote Similarity 0.5952 NPC285381
Remote Similarity 0.5952 NPC122106
Remote Similarity 0.5951 NPC308197
Remote Similarity 0.5951 NPC476454
Remote Similarity 0.5946 NPC470545
Remote Similarity 0.5946 NPC31651
Remote Similarity 0.5939 NPC314372
Remote Similarity 0.593 NPC27904
Remote Similarity 0.5928 NPC37548
Remote Similarity 0.5928 NPC473329
Remote Similarity 0.5926 NPC73767
Remote Similarity 0.5926 NPC134657
Remote Similarity 0.5924 NPC17059
Remote Similarity 0.5924 NPC40364
Remote Similarity 0.5922 NPC234987
Remote Similarity 0.5922 NPC240088
Remote Similarity 0.5922 NPC473380
Remote Similarity 0.5922 NPC64436

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  288.10
ALogP  -0.0814
MLogP  2.78
XLogP  2.688
HDA  3
HBD  0
Rotatable Bonds  3
TPSA  32.67
RO5 Violation  0