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CHEMBLOCK-ZINC00104052

 MMsINC code: MMs00497902
Type: Neutral
Formula: C14H10N2O2
SMILES:   O=C1N(Cc2ccccc2)C(=O)c2c1ccnc2
InChI:   InChI=1/C14H10N2O2/c17-13-11-6-7-15-8-12(11)14(18)16(13)9-10-4-2-1-3-5-10/h1-8H,9H2

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Potential Energy
Epot(MMFF94)=32.8449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.246 g/mol  logS: -2.44449  SlogP: 2.1442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130325  Sterimol/B1: 2.23835  Sterimol/B2: 3.72249  Sterimol/B3: 4.26363
  Sterimol/B4: 5.13056  Sterimol/L: 13.0957 
 
 Surface and Volume Properties
  Accessible surface: 437.719  Positive charged surface: 269.585  Negative charged surface: 168.134  Volume: 222.75
  Hydrophobic surface: 345.988  Hydrophilic surface: 91.731
 
 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.