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PUBCHEM-ZINC01256720

 MMsINC code: MMs02791392
Type: Neutral
Formula: C14H14N2O2
SMILES:   OCc1cc(ccc1)-c1cc(ccc1)C(=O)NN
InChI:   InChI=1/C14H14N2O2/c15-16-14(18)13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-17/h1-8,17H,9,15H2,(H,16,18)

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Potential Energy
Epot(MMFF94)=93.9124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.278 g/mol  logS: -3.81433  SlogP: 1.7158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00944446  Sterimol/B1: 2.24816  Sterimol/B2: 2.56063  Sterimol/B3: 2.88439
  Sterimol/B4: 7.19846  Sterimol/L: 15.6329 
 
 Surface and Volume Properties
  Accessible surface: 474.078  Positive charged surface: 264.525  Negative charged surface: 198.482  Volume: 236.625
  Hydrophobic surface: 282.359  Hydrophilic surface: 191.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.