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PUBCHEM-ZINC00896937

 MMsINC code: MMs02741783
Type: Neutral
Formula: C15H14N2O2
SMILES:   OC1Cc2c(N(c3c1cccc3)C(=O)N)cccc2
InChI:   InChI=1/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=98.1051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.289 g/mol  logS: -3.20694  SlogP: 2.58837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188088  Sterimol/B1: 2.5603  Sterimol/B2: 3.45935  Sterimol/B3: 4.42532
  Sterimol/B4: 5.52343  Sterimol/L: 12.1264 
 
 Surface and Volume Properties
  Accessible surface: 441.84  Positive charged surface: 254.979  Negative charged surface: 186.861  Volume: 238
  Hydrophobic surface: 322.009  Hydrophilic surface: 119.831
 
 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.