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NCID-ZINC01588413

 MMsINC code: MMs02243950
Type: Neutral
Formula: C10H10N2O3
SMILES:   OC(=O)\C(=N/NC(=O)C)\c1ccccc1
InChI:   InChI=1/C10H10N2O3/c1-7(13)11-12-9(10(14)15)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,13)(H,14,15)/b12-9-

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Potential Energy
Epot(MMFF94)=68.8107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.201 g/mol  logS: -2.07225  SlogP: 0.6114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0211004  Sterimol/B1: 2.75554  Sterimol/B2: 2.97237  Sterimol/B3: 3.66821
  Sterimol/B4: 5.33753  Sterimol/L: 13.4224 
 
 Surface and Volume Properties
  Accessible surface: 419.559  Positive charged surface: 217.33  Negative charged surface: 202.229  Volume: 189.375
  Hydrophobic surface: 268.456  Hydrophilic surface: 151.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02243951
NCID-ZINC01588413