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CHEMBRIDGE-ZINC02926266

 MMsINC code: MMs00741765
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)=107.441 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: 0.0127168  Sterimol/B1: 2.88403  Sterimol/B2: 3.5499  Sterimol/B3: 4.06437
  Sterimol/B4: 4.58354  Sterimol/L: 19.3195 
 
 Surface and Volume Properties
  Accessible surface: 597.182  Positive charged surface: 290.023  Negative charged surface: 296.22  Volume: 327.5
  Hydrophobic surface: 552.888  Hydrophilic surface: 44.294
 
 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.