Drug Information

Drug ID:  NPD9079
Drug Name:  Lindane
Molecular Formula:  C6H6Cl6
Canonical SMILES:  Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@@H]([C@@H]([C@H]1Cl)Cl)Cl
Standard InCHI:  InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+
Standard InCHIKey:  JLYXXMFPNIAWKQ-GNIYUCBRSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9079

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 NPC175884
High Similarity 1.0 NPC295412

Drug Structure

External Identifiers

TTD   DAP001036
DrugBank   DB00431
ChEMBL   CHEMBL15891
IUPHAR/BPS  
PharmaGKB   PA164754914
KEGG Drug   D00360
PubChem CID  
ChEBI   32888
CAS Number  58-89-9

Drug Properties

Molecular Weight  287.86
ALogP  4.1634
MLogP  1.46
XLogP  3.834
HDA  0
HBD  0
Rotatable Bonds  6
TPSA  0
RO5 Violation  0