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CHEMBRIDGE-ZINC00474678

 MMsINC code: MMs00628557
Type: Neutral
Formula: C14H16N2O3
SMILES:   O(C)c1cccc(OC)c1C(=O)n1nc(cc1C)C
InChI:   InChI=1/C14H16N2O3/c1-9-8-10(2)16(15-9)14(17)13-11(18-3)6-5-7-12(13)19-4/h5-8H,1-4H3

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Potential Energy
Epot(MMFF94)=89.5524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.293 g/mol  logS: -2.59768  SlogP: 2.20564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.321264  Sterimol/B1: 2.11486  Sterimol/B2: 5.79924  Sterimol/B3: 6.03339
  Sterimol/B4: 7.16445  Sterimol/L: 12.0436 
 
 Surface and Volume Properties
  Accessible surface: 511.749  Positive charged surface: 361.829  Negative charged surface: 149.92  Volume: 252.125
  Hydrophobic surface: 468.241  Hydrophilic surface: 43.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.