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NCID-ZINC05328096

 MMsINC code: MMs02451303
Type: Neutral
Formula: C14H10N2O2
SMILES:   O=C1c2c(ccc(NN)c2)C(=O)c2c1cccc2
InChI:   InChI=1/C14H10N2O2/c15-16-8-5-6-11-12(7-8)14(18)10-4-2-1-3-9(10)13(11)17/h1-7,16H,15H2

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Potential Energy
Epot(MMFF94)=76.614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.246 g/mol  logS: -3.58581  SlogP: 1.7476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0016475  Sterimol/B1: 2.1041  Sterimol/B2: 2.19468  Sterimol/B3: 4.01679
  Sterimol/B4: 4.77323  Sterimol/L: 14.4446 
 
 Surface and Volume Properties
  Accessible surface: 424.415  Positive charged surface: 236.52  Negative charged surface: 187.895  Volume: 217.5
  Hydrophobic surface: 265.629  Hydrophilic surface: 158.786
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.