Drug Information

Drug ID:  NPD1265
Drug Name:  Ticlopidine Hydrochloride
Molecular Formula:  C14H14ClNS.ClH
Canonical SMILES:  Clc1ccccc1CN1CCc2c(C1)ccs2.Cl
Standard InCHI:  InChI=1S/C14H14ClNS.ClH/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14;/h1-4,6,8H,5,7,9-10H2;1H
Standard InCHIKey:  MTKNGOHFNXIVOS-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1265

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
Remote Similarity 0.6606 NPC104070
Remote Similarity 0.6525 NPC120203
Remote Similarity 0.6476 NPC98976
Remote Similarity 0.6429 NPC148231
Remote Similarity 0.6415 NPC271642
Remote Similarity 0.6293 NPC470926
Remote Similarity 0.6283 NPC258046
Remote Similarity 0.626 NPC469974
Remote Similarity 0.625 NPC169016
Remote Similarity 0.6226 NPC299134
Remote Similarity 0.6147 NPC12857
Remote Similarity 0.6102 NPC473661
Remote Similarity 0.605 NPC322040
Remote Similarity 0.6018 NPC474088
Remote Similarity 0.6016 NPC11466
Remote Similarity 0.6 NPC5324
Remote Similarity 0.6 NPC329430
Remote Similarity 0.5981 NPC244738
Remote Similarity 0.5957 NPC473417
Remote Similarity 0.5877 NPC125549
Remote Similarity 0.5841 NPC231986
Remote Similarity 0.584 NPC291610
Remote Similarity 0.584 NPC239854
Remote Similarity 0.5814 NPC77294
Remote Similarity 0.5812 NPC17497
Remote Similarity 0.5812 NPC305602
Remote Similarity 0.581 NPC52330
Remote Similarity 0.5804 NPC8981
Remote Similarity 0.5794 NPC219246
Remote Similarity 0.5794 NPC471310
Remote Similarity 0.5785 NPC300455
Remote Similarity 0.5752 NPC195713
Remote Similarity 0.5748 NPC328877
Remote Similarity 0.5735 NPC320656
Remote Similarity 0.5678 NPC53492
Remote Similarity 0.5676 NPC139658
Remote Similarity 0.5667 NPC166487
Remote Similarity 0.5648 NPC105991
Remote Similarity 0.5625 NPC98269
Remote Similarity 0.5625 NPC325662
Remote Similarity 0.5616 NPC130655
Remote Similarity 0.5614 NPC475573
Remote Similarity 0.5614 NPC475289
Remote Similarity 0.561 NPC108339
Remote Similarity 0.5603 NPC119677

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  263.05
ALogP  1.0949
MLogP  2.67
XLogP  4.08
HDA  1
HBD  0
Rotatable Bonds  3
TPSA  31.48
RO5 Violation  0