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CHEMBRIDGE-ZINC00183491

 MMsINC code: MMs00593705
Type: Neutral
Formula: C20H16N2O2
SMILES:   Oc1cc(ccc1)C1Nc2c(cccc2)C(=O)N1c1ccccc1
InChI:   InChI=1/C20H16N2O2/c23-16-10-6-7-14(13-16)19-21-18-12-5-4-11-17(18)20(24)22(19)15-8-2-1-3-9-15/h1-13,19,21,23H/t19-/m1/s1

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Potential Energy
Epot(MMFF94)=102.401 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.36 g/mol  logS: -4.48086  SlogP: 4.2588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219635  Sterimol/B1: 3.71045  Sterimol/B2: 3.78582  Sterimol/B3: 4.38485
  Sterimol/B4: 6.53984  Sterimol/L: 14.0694 
 
 Surface and Volume Properties
  Accessible surface: 540.955  Positive charged surface: 303.168  Negative charged surface: 237.787  Volume: 304.75
  Hydrophobic surface: 443.825  Hydrophilic surface: 97.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.