Drug Information

Drug ID:  NPD2775
Drug Name:  Sns-314
Molecular Formula:  C18H15ClN6OS2
Canonical SMILES:  Clc1cccc(c1)N=C(Nc1ncc(s1)CCN=c1[nH]cnc2c1scc2)O
Standard InCHI:  InChI=1S/C18H15ClN6OS2/c19-11-2-1-3-12(8-11)24-17(26)25-18-21-9-13(28-18)4-6-20-16-15-14(5-7-27-15)22-10-23-16/h1-3,5,7-10H,4,6H2,(H,20,22,23)(H2,21,24,25,26)
Standard InCHIKey:  FAYAUAZLLLJJGH-UHFFFAOYSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2775

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 0.6769 NPC164228
Remote Similarity 0.6457 NPC287895
Remote Similarity 0.625 NPC151779
Remote Similarity 0.6102 NPC273714
Remote Similarity 0.6047 NPC469308
Remote Similarity 0.6042 NPC216713
Remote Similarity 0.602 NPC314557
Remote Similarity 0.6011 NPC69277
Remote Similarity 0.5979 NPC120070
Remote Similarity 0.5961 NPC315715
Remote Similarity 0.5926 NPC320863
Remote Similarity 0.5854 NPC248454
Remote Similarity 0.5846 NPC161108
Remote Similarity 0.5833 NPC317054
Remote Similarity 0.5833 NPC39092
Remote Similarity 0.5815 NPC471322
Remote Similarity 0.5815 NPC173344
Remote Similarity 0.5803 NPC471957
Remote Similarity 0.5795 NPC470823
Remote Similarity 0.5789 NPC149014
Remote Similarity 0.5789 NPC476454
Remote Similarity 0.5787 NPC476464
Remote Similarity 0.5773 NPC143325
Remote Similarity 0.5773 NPC282531
Remote Similarity 0.5762 NPC49051
Remote Similarity 0.576 NPC41982
Remote Similarity 0.5759 NPC147810
Remote Similarity 0.5751 NPC153467
Remote Similarity 0.5751 NPC143872
Remote Similarity 0.575 NPC225018
Remote Similarity 0.5744 NPC148592
Remote Similarity 0.5743 NPC475920
Remote Similarity 0.5743 NPC49217
Remote Similarity 0.5742 NPC471609
Remote Similarity 0.5742 NPC163055
Remote Similarity 0.5739 NPC77022
Remote Similarity 0.5714 NPC125416
Remote Similarity 0.5714 NPC216221
Remote Similarity 0.5701 NPC138562
Remote Similarity 0.5672 NPC470203
Remote Similarity 0.565 NPC135141
Remote Similarity 0.565 NPC92796
Remote Similarity 0.5646 NPC314919
Remote Similarity 0.5645 NPC101165
Remote Similarity 0.5635 NPC469975
Remote Similarity 0.5628 NPC135488
Remote Similarity 0.5625 NPC84268
Remote Similarity 0.5622 NPC470204
Remote Similarity 0.5622 NPC122141
Remote Similarity 0.5607 NPC188104

Drug Structure

External Identifiers

TTD   DCL000006
DrugBank   DB07361
ChEMBL   CHEMBL482767
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   24995524
ChEBI   94720
CAS Number  

Drug Properties

Molecular Weight  430.04
ALogP  0.8396
MLogP  2.34
XLogP  4.765
HDA  7
HBD  3
Rotatable Bonds  8
TPSA  150.74
RO5 Violation  0