Drug Information

Drug ID:  NPD1937
Drug Name:  Medazepam
Molecular Formula:  C16H15ClN2
Canonical SMILES:  Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1
Standard InCHI:  InChI=1S/C16H15ClN2/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19/h2-8,11H,9-10H2,1H3
Standard InCHIKey:  YLCXGBZIZBEVPZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1937

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 0.9213 NPC325599
Intermediate Similarity 0.8468 NPC317564
Intermediate Similarity 0.7937 NPC192209
Intermediate Similarity 0.7903 NPC296163
Intermediate Similarity 0.7903 NPC187036
Intermediate Similarity 0.7744 NPC476950
Intermediate Similarity 0.7519 NPC313449
Intermediate Similarity 0.7417 NPC477591
Intermediate Similarity 0.7364 NPC288232
Intermediate Similarity 0.736 NPC302790
Intermediate Similarity 0.7246 NPC9856
Intermediate Similarity 0.7222 NPC315348
Intermediate Similarity 0.7222 NPC32002
Intermediate Similarity 0.7154 NPC291610
Intermediate Similarity 0.7101 NPC469949
Intermediate Similarity 0.7042 NPC313352
Remote Similarity 0.694 NPC264580
Remote Similarity 0.6866 NPC148140
Remote Similarity 0.6839 NPC476464
Remote Similarity 0.6828 NPC198988
Remote Similarity 0.6818 NPC314141
Remote Similarity 0.6815 NPC81561
Remote Similarity 0.6806 NPC184437
Remote Similarity 0.6788 NPC314919
Remote Similarity 0.6788 NPC475915
Remote Similarity 0.6765 NPC54102
Remote Similarity 0.6765 NPC162689
Remote Similarity 0.6738 NPC478079
Remote Similarity 0.6735 NPC314102
Remote Similarity 0.6735 NPC251722
Remote Similarity 0.6714 NPC122718
Remote Similarity 0.6692 NPC77294
Remote Similarity 0.6692 NPC164802
Remote Similarity 0.6688 NPC40070
Remote Similarity 0.6667 NPC125416
Remote Similarity 0.6667 NPC325252
Remote Similarity 0.6667 NPC53044
Remote Similarity 0.6667 NPC215519
Remote Similarity 0.6623 NPC20144
Remote Similarity 0.659 NPC315617
Remote Similarity 0.659 NPC316359
Remote Similarity 0.659 NPC316018
Remote Similarity 0.659 NPC314058
Remote Similarity 0.6564 NPC116961
Remote Similarity 0.6556 NPC63157
Remote Similarity 0.6556 NPC473868
Remote Similarity 0.6552 NPC22079
Remote Similarity 0.6533 NPC88097
Remote Similarity 0.6533 NPC104483
Remote Similarity 0.6525 NPC46358
Remote Similarity 0.651 NPC150259
Remote Similarity 0.6509 NPC471609
Remote Similarity 0.649 NPC59084
Remote Similarity 0.649 NPC2949
Remote Similarity 0.6489 NPC79618
Remote Similarity 0.6443 NPC218268
Remote Similarity 0.6434 NPC252794
Remote Similarity 0.6429 NPC470440
Remote Similarity 0.6424 NPC471574
Remote Similarity 0.6423 NPC313673
Remote Similarity 0.6395 NPC475450
Remote Similarity 0.6389 NPC145754
Remote Similarity 0.6389 NPC250361
Remote Similarity 0.6382 NPC115611
Remote Similarity 0.6375 NPC477887
Remote Similarity 0.637 NPC473587
Remote Similarity 0.6352 NPC476297
Remote Similarity 0.6346 NPC21605
Remote Similarity 0.6341 NPC78154
Remote Similarity 0.634 NPC476454
Remote Similarity 0.6338 NPC41174
Remote Similarity 0.6331 NPC228515
Remote Similarity 0.6327 NPC475428
Remote Similarity 0.6316 NPC83381
Remote Similarity 0.6316 NPC110126
Remote Similarity 0.6316 NPC73767
Remote Similarity 0.6312 NPC257490
Remote Similarity 0.6309 NPC300299
Remote Similarity 0.6301 NPC473762
Remote Similarity 0.6299 NPC136002
Remote Similarity 0.6291 NPC471312
Remote Similarity 0.6291 NPC84911
Remote Similarity 0.6286 NPC91958
Remote Similarity 0.6286 NPC226143
Remote Similarity 0.6284 NPC179365
Remote Similarity 0.6276 NPC476140
Remote Similarity 0.6275 NPC469784
Remote Similarity 0.6275 NPC469783
Remote Similarity 0.6275 NPC469768
Remote Similarity 0.6275 NPC469779
Remote Similarity 0.6275 NPC469767
Remote Similarity 0.6275 NPC469761
Remote Similarity 0.6275 NPC469780
Remote Similarity 0.6266 NPC33421
Remote Similarity 0.625 NPC476219
Remote Similarity 0.625 NPC169433
Remote Similarity 0.6242 NPC179787
Remote Similarity 0.6242 NPC470111
Remote Similarity 0.6242 NPC473930
Remote Similarity 0.6242 NPC201380
Remote Similarity 0.6241 NPC316582
Remote Similarity 0.6241 NPC434
Remote Similarity 0.6235 NPC474880
Remote Similarity 0.6235 NPC475990
Remote Similarity 0.6235 NPC221786
Remote Similarity 0.6234 NPC469766
Remote Similarity 0.6225 NPC261195
Remote Similarity 0.6225 NPC29886
Remote Similarity 0.6225 NPC96102
Remote Similarity 0.622 NPC162799
Remote Similarity 0.6218 NPC469525
Remote Similarity 0.6218 NPC204141
Remote Similarity 0.6218 NPC469735
Remote Similarity 0.6216 NPC476687
Remote Similarity 0.6216 NPC476689
Remote Similarity 0.6216 NPC476685
Remote Similarity 0.6214 NPC471402
Remote Similarity 0.6214 NPC240136
Remote Similarity 0.6214 NPC320656
Remote Similarity 0.6214 NPC297486
Remote Similarity 0.6211 NPC115049
Remote Similarity 0.621 NPC191444
Remote Similarity 0.6209 NPC316811
Remote Similarity 0.6203 NPC321911
Remote Similarity 0.6196 NPC229173
Remote Similarity 0.6188 NPC325903
Remote Similarity 0.6188 NPC281094
Remote Similarity 0.6184 NPC125746
Remote Similarity 0.6184 NPC105127
Remote Similarity 0.6178 NPC288838
Remote Similarity 0.6178 NPC469740
Remote Similarity 0.6178 NPC63545
Remote Similarity 0.617 NPC291962
Remote Similarity 0.617 NPC177684
Remote Similarity 0.6169 NPC284635
Remote Similarity 0.6169 NPC238499
Remote Similarity 0.6164 NPC53947
Remote Similarity 0.616 NPC470926
Remote Similarity 0.6154 NPC265605
Remote Similarity 0.6154 NPC48564
Remote Similarity 0.6154 NPC182570
Remote Similarity 0.6143 NPC476566
Remote Similarity 0.6139 NPC469811
Remote Similarity 0.6138 NPC476322
Remote Similarity 0.6129 NPC176858
Remote Similarity 0.6127 NPC161956
Remote Similarity 0.6127 NPC112373
Remote Similarity 0.6127 NPC258531
Remote Similarity 0.6111 NPC108800
Remote Similarity 0.6111 NPC51054
Remote Similarity 0.6107 NPC282398
Remote Similarity 0.6098 NPC255229
Remote Similarity 0.6098 NPC81229
Remote Similarity 0.609 NPC477890
Remote Similarity 0.609 NPC190296
Remote Similarity 0.6087 NPC471132
Remote Similarity 0.6084 NPC195507
Remote Similarity 0.6084 NPC2165
Remote Similarity 0.6081 NPC473417
Remote Similarity 0.6076 NPC478186
Remote Similarity 0.6071 NPC147957
Remote Similarity 0.6069 NPC290094
Remote Similarity 0.6067 NPC82295
Remote Similarity 0.6067 NPC256893
Remote Similarity 0.6066 NPC229477
Remote Similarity 0.6065 NPC279081
Remote Similarity 0.6062 NPC206592
Remote Similarity 0.6061 NPC194881
Remote Similarity 0.6061 NPC471310
Remote Similarity 0.6056 NPC143603
Remote Similarity 0.6048 NPC111233
Remote Similarity 0.6037 NPC6436
Remote Similarity 0.6037 NPC56765
Remote Similarity 0.6037 NPC318065
Remote Similarity 0.6037 NPC206819
Remote Similarity 0.6025 NPC117032
Remote Similarity 0.6024 NPC271797
Remote Similarity 0.6024 NPC21174
Remote Similarity 0.6024 NPC478182
Remote Similarity 0.6014 NPC150863
Remote Similarity 0.6013 NPC285731
Remote Similarity 0.6013 NPC314372
Remote Similarity 0.6 NPC69914
Remote Similarity 0.6 NPC2272
Remote Similarity 0.6 NPC143156
Remote Similarity 0.6 NPC283130
Remote Similarity 0.6 NPC328683
Remote Similarity 0.6 NPC329825
Remote Similarity 0.6 NPC312092
Remote Similarity 0.6 NPC2823
Remote Similarity 0.6 NPC37548
Remote Similarity 0.5988 NPC471130
Remote Similarity 0.5986 NPC146373
Remote Similarity 0.5986 NPC245244
Remote Similarity 0.5986 NPC166424
Remote Similarity 0.5976 NPC286427
Remote Similarity 0.5976 NPC474897
Remote Similarity 0.5976 NPC236711
Remote Similarity 0.5976 NPC129721
Remote Similarity 0.5975 NPC143872

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  270.09
ALogP  0.5532
MLogP  2.89
XLogP  4.737
HDA  2
HBD  0
Rotatable Bonds  3
TPSA  15.6
RO5 Violation  0