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PUBCHEM-ZINC06883869

 MMsINC code: MMs03888074
Type: Neutral
Formula: C22H15ClO2
SMILES:   Clc1ccccc1\C=C/1\C=C(OC\1=O)c1cc2c(cc(cc2)C)cc1
InChI:   InChI=1/C22H15ClO2/c1-14-6-7-16-11-18(9-8-15(16)10-14)21-13-19(22(24)25-21)12-17-4-2-3-5-20(17)23/h2-13H,1H3/b19-12+

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Potential Energy
Epot(MMFF94)=113.557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.813 g/mol  logS: -8.17643  SlogP: 5.78292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0103692  Sterimol/B1: 2.91603  Sterimol/B2: 3.18557  Sterimol/B3: 3.53593
  Sterimol/B4: 7.13013  Sterimol/L: 18.1196 
 
 Surface and Volume Properties
  Accessible surface: 590.032  Positive charged surface: 273.128  Negative charged surface: 307.367  Volume: 327.75
  Hydrophobic surface: 525.279  Hydrophilic surface: 64.753
 
 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.