Drug Information

Drug ID:  NPD479
Drug Name:  Antipyrine
Molecular Formula:  C11H12N2O
Canonical SMILES:  O=c1cc(n(n1c1ccccc1)C)C
Standard InCHI:  InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
Standard InCHIKey:  VEQOALNAAJBPNY-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD479

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 NPC326792
High Similarity 0.9394 NPC20322
High Similarity 0.8532 NPC31651
High Similarity 0.85 NPC75496
Intermediate Similarity 0.7347 NPC134825
Intermediate Similarity 0.703 NPC229477
Remote Similarity 0.697 NPC307456
Remote Similarity 0.6857 NPC92689
Remote Similarity 0.6832 NPC15839
Remote Similarity 0.678 NPC57051
Remote Similarity 0.6721 NPC291962
Remote Similarity 0.6721 NPC177684
Remote Similarity 0.6696 NPC291610
Remote Similarity 0.6667 NPC161956
Remote Similarity 0.6667 NPC258531
Remote Similarity 0.6667 NPC112373
Remote Similarity 0.6667 NPC297532
Remote Similarity 0.6641 NPC316104
Remote Similarity 0.6641 NPC162417
Remote Similarity 0.6637 NPC474430
Remote Similarity 0.6614 NPC250476
Remote Similarity 0.6613 NPC257490
Remote Similarity 0.6589 NPC187231
Remote Similarity 0.6585 NPC226143
Remote Similarity 0.6567 NPC469560
Remote Similarity 0.6531 NPC301874
Remote Similarity 0.6522 NPC313362
Remote Similarity 0.6508 NPC254698
Remote Similarity 0.6504 NPC228515
Remote Similarity 0.65 NPC296163
Remote Similarity 0.6471 NPC471164
Remote Similarity 0.6458 NPC271732
Remote Similarity 0.6429 NPC66775
Remote Similarity 0.6412 NPC231382
Remote Similarity 0.64 NPC316582
Remote Similarity 0.64 NPC179605
Remote Similarity 0.64 NPC279385
Remote Similarity 0.6393 NPC288232
Remote Similarity 0.6389 NPC78154
Remote Similarity 0.6364 NPC187036
Remote Similarity 0.6349 NPC103292
Remote Similarity 0.6343 NPC300299
Remote Similarity 0.6299 NPC39818
Remote Similarity 0.629 NPC192209
Remote Similarity 0.6277 NPC204156
Remote Similarity 0.6277 NPC130251
Remote Similarity 0.6241 NPC207428
Remote Similarity 0.6232 NPC301760
Remote Similarity 0.6231 NPC322433
Remote Similarity 0.6216 NPC476483
Remote Similarity 0.6187 NPC238499
Remote Similarity 0.6176 NPC267508
Remote Similarity 0.6176 NPC471123
Remote Similarity 0.6172 NPC268534
Remote Similarity 0.6159 NPC315051
Remote Similarity 0.6154 NPC472244
Remote Similarity 0.6154 NPC470343
Remote Similarity 0.614 NPC317642
Remote Similarity 0.6138 NPC117032
Remote Similarity 0.6136 NPC150863
Remote Similarity 0.6136 NPC209389
Remote Similarity 0.6134 NPC172170
Remote Similarity 0.6119 NPC53044
Remote Similarity 0.6115 NPC471574
Remote Similarity 0.6115 NPC2823
Remote Similarity 0.6111 NPC17497
Remote Similarity 0.6111 NPC305602
Remote Similarity 0.609 NPC472245
Remote Similarity 0.609 NPC280807
Remote Similarity 0.609 NPC314431
Remote Similarity 0.6087 NPC83214
Remote Similarity 0.6077 NPC192533
Remote Similarity 0.6058 NPC325599
Remote Similarity 0.6043 NPC207554
Remote Similarity 0.6017 NPC328877
Remote Similarity 0.6014 NPC122553
Remote Similarity 0.6 NPC40364
Remote Similarity 0.6 NPC470301
Remote Similarity 0.5986 NPC136002
Remote Similarity 0.5986 NPC470822
Remote Similarity 0.5982 NPC473661
Remote Similarity 0.5963 NPC262295
Remote Similarity 0.595 NPC302790
Remote Similarity 0.595 NPC164802
Remote Similarity 0.5948 NPC213774
Remote Similarity 0.594 NPC476950
Remote Similarity 0.5932 NPC178681
Remote Similarity 0.5929 NPC474974
Remote Similarity 0.5926 NPC314098
Remote Similarity 0.5915 NPC308197
Remote Similarity 0.5915 NPC277157
Remote Similarity 0.5915 NPC469537
Remote Similarity 0.5913 NPC472258
Remote Similarity 0.5912 NPC253476
Remote Similarity 0.5912 NPC184437
Remote Similarity 0.5909 NPC111233
Remote Similarity 0.5909 NPC30445
Remote Similarity 0.5906 NPC313449
Remote Similarity 0.589 NPC473329
Remote Similarity 0.5887 NPC22082
Remote Similarity 0.5887 NPC186284
Remote Similarity 0.5882 NPC98976
Remote Similarity 0.5878 NPC281094
Remote Similarity 0.587 NPC173295
Remote Similarity 0.5868 NPC55529
Remote Similarity 0.5868 NPC79618
Remote Similarity 0.5868 NPC434
Remote Similarity 0.5856 NPC173991
Remote Similarity 0.5856 NPC315403
Remote Similarity 0.585 NPC154602
Remote Similarity 0.585 NPC243756
Remote Similarity 0.5825 NPC271642
Remote Similarity 0.5811 NPC122106
Remote Similarity 0.5811 NPC285381
Remote Similarity 0.5804 NPC191444
Remote Similarity 0.5793 NPC470440
Remote Similarity 0.5785 NPC471447
Remote Similarity 0.5762 NPC477887
Remote Similarity 0.5753 NPC478186
Remote Similarity 0.575 NPC38262
Remote Similarity 0.575 NPC275467
Remote Similarity 0.5745 NPC65408
Remote Similarity 0.5739 NPC256452
Remote Similarity 0.5736 NPC264580
Remote Similarity 0.5735 NPC194562
Remote Similarity 0.5735 NPC9856
Remote Similarity 0.5725 NPC475915
Remote Similarity 0.5714 NPC109787
Remote Similarity 0.5714 NPC12857
Remote Similarity 0.5714 NPC242000
Remote Similarity 0.5714 NPC314141
Remote Similarity 0.5714 NPC176858
Remote Similarity 0.5714 NPC329375
Remote Similarity 0.5704 NPC478079
Remote Similarity 0.5704 NPC242933
Remote Similarity 0.5704 NPC472243
Remote Similarity 0.5703 NPC313673
Remote Similarity 0.5703 NPC125416
Remote Similarity 0.5702 NPC313810
Remote Similarity 0.5691 NPC231655
Remote Similarity 0.5685 NPC324445
Remote Similarity 0.5683 NPC330326
Remote Similarity 0.5676 NPC43655
Remote Similarity 0.5676 NPC53492
Remote Similarity 0.5674 NPC287358
Remote Similarity 0.5669 NPC470550
Remote Similarity 0.5664 NPC43477
Remote Similarity 0.5652 NPC476687
Remote Similarity 0.5652 NPC476685
Remote Similarity 0.5652 NPC476689
Remote Similarity 0.5646 NPC212799
Remote Similarity 0.5639 NPC283130
Remote Similarity 0.5639 NPC328683
Remote Similarity 0.5638 NPC66936
Remote Similarity 0.5625 NPC143156
Remote Similarity 0.5625 NPC472241
Remote Similarity 0.561 NPC76327
Remote Similarity 0.5608 NPC237649
Remote Similarity 0.5608 NPC300596

Drug Structure

External Identifiers

TTD   DNC001118
DrugBank   DB01435
ChEMBL   CHEMBL277474
IUPHAR/BPS  
PharmaGKB   PA448453
KEGG Drug   D01776
PubChem CID  
ChEBI   31225
CAS Number  60-80-0

Drug Properties

Molecular Weight  188.09
ALogP  -0.1655
MLogP  2.34
XLogP  2.298
HDA  3
HBD  0
Rotatable Bonds  3
TPSA  23.55
RO5 Violation  0