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ENAMINE-ZINC01721760

 MMsINC code: MMs01243628
Type: Neutral
Formula: C12H13N2O3P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(=O)NN
InChI:   InChI=1/C12H13N2O3P/c13-14-18(15,16-11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10H,13H2,(H,14,15)

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Potential Energy
Epot(MMFF94)=75.8618 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.221 g/mol  logS: -3.08139  SlogP: 1.6456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475004  Sterimol/B1: 2.10794  Sterimol/B2: 3.54346  Sterimol/B3: 3.84944
  Sterimol/B4: 5.55177  Sterimol/L: 14.4187 
 
 Surface and Volume Properties
  Accessible surface: 466.157  Positive charged surface: 253.212  Negative charged surface: 212.945  Volume: 237.625
  Hydrophobic surface: 355.813  Hydrophilic surface: 110.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.