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ALFAAESAR-ZINC03881302

 MMsINC code: MMs00024416
Type: Neutral
Formula: C14H10N2O2
SMILES:   O=C1c2c(ccc(N)c2N)C(=O)c2c1cccc2
InChI:   InChI=1/C14H10N2O2/c15-10-6-5-9-11(12(10)16)14(18)8-4-2-1-3-7(8)13(9)17/h1-6H,15-16H2

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Potential Energy
Epot(MMFF94)=85.203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.246 g/mol  logS: -3.32676  SlogP: 1.6264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00101109  Sterimol/B1: 2.09974  Sterimol/B2: 2.11676  Sterimol/B3: 4.27303
  Sterimol/B4: 4.47011  Sterimol/L: 13.3535 
 
 Surface and Volume Properties
  Accessible surface: 420.398  Positive charged surface: 247.562  Negative charged surface: 172.836  Volume: 217.5
  Hydrophobic surface: 261.106  Hydrophilic surface: 159.292
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.