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CHEMBRIDGE-ZINC00457405

 MMsINC code: MMs00621528
Type: Neutral
Formula: C14H12N2O3
SMILES:   O(N=C1C=CC(=NO)C=C1)C(=O)c1ccc(cc1)C
InChI:   InChI=1/C14H12N2O3/c1-10-2-4-11(5-3-10)14(17)19-16-13-8-6-12(15-18)7-9-13/h2-9,18H,1H3/b15-12-,16-13-

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Potential Energy
Epot(MMFF94)=97.7593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.261 g/mol  logS: -3.99409  SlogP: 2.46402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00282081  Sterimol/B1: 2.10486  Sterimol/B2: 2.51225  Sterimol/B3: 2.84413
  Sterimol/B4: 5.81724  Sterimol/L: 16.5365 
 
 Surface and Volume Properties
  Accessible surface: 499.752  Positive charged surface: 257.305  Negative charged surface: 242.447  Volume: 241.25
  Hydrophobic surface: 351.988  Hydrophilic surface: 147.764
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.