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MAYBRIDGE-ZINC00087812

 MMsINC code: MMs02129739
Type: Neutral
Formula: C12H12N2O2
SMILES:   O1C(=N\C(=C/N(C)C)\C1=O)c1ccccc1
InChI:   InChI=1/C12H12N2O2/c1-14(2)8-10-12(15)16-11(13-10)9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8-

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Potential Energy
Epot(MMFF94)=77.7216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.24 g/mol  logS: -2.95375  SlogP: 1.393  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0119833  Sterimol/B1: 2.1525  Sterimol/B2: 2.81943  Sterimol/B3: 2.84838
  Sterimol/B4: 6.75132  Sterimol/L: 13.7014 
 
 Surface and Volume Properties
  Accessible surface: 432.244  Positive charged surface: 283.514  Negative charged surface: 148.731  Volume: 210.625
  Hydrophobic surface: 354.369  Hydrophilic surface: 77.875
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.