Drug Information

Drug ID:  NPD474
Drug Name:  Chlormezanone
Molecular Formula:  C11H12ClNO3S
Canonical SMILES:  CN1C(=O)CCS(=O)(=O)C1c1ccc(cc1)Cl
Standard InCHI:  InChI=1S/C11H12ClNO3S/c1-13-10(14)6-7-17(15,16)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3
Standard InCHIKey:  WEQAYVWKMWHEJO-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD474

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 0.7193 NPC473661
Remote Similarity 0.6847 NPC474088
Remote Similarity 0.6838 NPC71140
Remote Similarity 0.6754 NPC17497
Remote Similarity 0.6754 NPC305602
Remote Similarity 0.6609 NPC53492
Remote Similarity 0.6444 NPC302169
Remote Similarity 0.6404 NPC104070
Remote Similarity 0.6385 NPC181390
Remote Similarity 0.6364 NPC256452
Remote Similarity 0.6299 NPC473418
Remote Similarity 0.6288 NPC476048
Remote Similarity 0.6283 NPC475289
Remote Similarity 0.6283 NPC475573
Remote Similarity 0.6273 NPC98976
Remote Similarity 0.627 NPC471310
Remote Similarity 0.6241 NPC471318
Remote Similarity 0.6216 NPC271642
Remote Similarity 0.6148 NPC474974
Remote Similarity 0.6136 NPC475013
Remote Similarity 0.6081 NPC316906
Remote Similarity 0.6077 NPC55529
Remote Similarity 0.6014 NPC325599
Remote Similarity 0.6013 NPC313850
Remote Similarity 0.5986 NPC313352
Remote Similarity 0.5984 NPC470926
Remote Similarity 0.5971 NPC316582
Remote Similarity 0.5966 NPC258046
Remote Similarity 0.5965 NPC12857
Remote Similarity 0.596 NPC468984
Remote Similarity 0.5952 NPC120203
Remote Similarity 0.5942 NPC228515
Remote Similarity 0.5909 NPC77294
Remote Similarity 0.5882 NPC113099
Remote Similarity 0.5878 NPC45033
Remote Similarity 0.5873 NPC472258
Remote Similarity 0.587 NPC476440
Remote Similarity 0.585 NPC194857
Remote Similarity 0.585 NPC32858
Remote Similarity 0.5846 NPC469974
Remote Similarity 0.5833 NPC13470
Remote Similarity 0.5822 NPC300315
Remote Similarity 0.5821 NPC313981
Remote Similarity 0.5814 NPC329375
Remote Similarity 0.5802 NPC476198
Remote Similarity 0.5798 NPC169016
Remote Similarity 0.5762 NPC307682
Remote Similarity 0.576 NPC322040
Remote Similarity 0.5758 NPC471447
Remote Similarity 0.5752 NPC299134
Remote Similarity 0.5714 NPC125549
Remote Similarity 0.5714 NPC320656
Remote Similarity 0.569 NPC67863
Remote Similarity 0.5682 NPC143516
Remote Similarity 0.5682 NPC167336
Remote Similarity 0.5677 NPC322878
Remote Similarity 0.5669 NPC189908
Remote Similarity 0.5658 NPC89489
Remote Similarity 0.5652 NPC33742
Remote Similarity 0.5639 NPC130898
Remote Similarity 0.5639 NPC474804
Remote Similarity 0.5639 NPC474973
Remote Similarity 0.5634 NPC27833
Remote Similarity 0.5625 NPC286551
Remote Similarity 0.5606 NPC275467

Drug Structure

External Identifiers

TTD   DAP001252
DrugBank   DB01178
ChEMBL   CHEMBL1200714
IUPHAR/BPS   7323
PharmaGKB   PA448939
KEGG Drug   D00268
PubChem CID   2717
ChEBI   3619
CAS Number  80-77-3

Drug Properties

Molecular Weight  273.02
ALogP  -0.0348
MLogP  2.01
XLogP  1.272
HDA  4
HBD  0
Rotatable Bonds  3
TPSA  62.83
RO5 Violation  0