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CHEMBRIDGE-ZINC02257093

MMsINC code: MMs00705486

Type: Neutral
Formula: C23H15ClO4
SMILES:   Clc1cc2c(OC(=O)C=C2c2ccccc2)cc1OCC(=O)c1ccccc1
InChI:   InChI=1/C23H15ClO4/c24-19-11-18-17(15-7-3-1-4-8-15)12-23(26)28-21(18)13-22(19)27-14-20(25)16-9-5-2-6-10-16/h1-13H,14H2

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=119.241 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.822 g/mol  logS: -7.43241  SlogP: 4.76969  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193044  Sterimol/B1: 3.33787  Sterimol/B2: 3.4564  Sterimol/B3: 4.05564
  Sterimol/B4: 7.37691  Sterimol/L: 19.6322 
 
 Surface and Volume Properties
  Accessible surface: 640.504  Positive charged surface: 302.014  Negative charged surface: 338.49  Volume: 354.625
  Hydrophobic surface: 535.497  Hydrophilic surface: 105.007
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.