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ASINEX-ZINC04158536

MMsINC code: MMs00311607

Type: Neutral
Formula: C20H15ClO2
SMILES:   Clc1ccccc1-c1oc(cc1)\C=C\C(=O)c1ccc(cc1)C
InChI:   InChI=1/C20H15ClO2/c1-14-6-8-15(9-7-14)19(22)12-10-16-11-13-20(23-16)17-4-2-3-5-18(17)21/h2-13H,1H3/b12-10+

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=75.6654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.791 g/mol  logS: -7.31847  SlogP: 5.80452  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0222431  Sterimol/B1: 2.72018  Sterimol/B2: 3.33485  Sterimol/B3: 3.76169
  Sterimol/B4: 7.68005  Sterimol/L: 17.0476 
 
 Surface and Volume Properties
  Accessible surface: 593.748  Positive charged surface: 286.69  Negative charged surface: 307.058  Volume: 310.25
  Hydrophobic surface: 556.149  Hydrophilic surface: 37.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.