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CHEMBRIDGE-ZINC02872886

 MMsINC code: MMs00730791
Type: Neutral
Formula: C14H14N2O4
SMILES:   o1nc(cc1C)C(=O)NC(C)c1cc2OCOc2cc1
InChI:   InChI=1/C14H14N2O4/c1-8-5-11(16-20-8)14(17)15-9(2)10-3-4-12-13(6-10)19-7-18-12/h3-6,9H,7H2,1-2H3,(H,15,17)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=62.977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.276 g/mol  logS: -2.69388  SlogP: 2.29822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0549064  Sterimol/B1: 2.67132  Sterimol/B2: 2.96125  Sterimol/B3: 3.87679
  Sterimol/B4: 5.45952  Sterimol/L: 16.8094 
 
 Surface and Volume Properties
  Accessible surface: 505.182  Positive charged surface: 295.476  Negative charged surface: 209.706  Volume: 251.25
  Hydrophobic surface: 361.202  Hydrophilic surface: 143.98
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.