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NCID-ZINC01750215

 MMsINC code: MMs02361886
Type: Neutral
Formula: C14H12N2O4
SMILES:   Oc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1
InChI:   InChI=1/C14H12N2O4/c17-13-3-1-2-11(9-13)15-14(18)8-10-4-6-12(7-5-10)16(19)20/h1-7,9,17H,8H2,(H,15,18)

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Potential Energy
Epot(MMFF94)=81.948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.26 g/mol  logS: -3.84462  SlogP: 2.48157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0732602  Sterimol/B1: 2.55948  Sterimol/B2: 3.64333  Sterimol/B3: 3.74354
  Sterimol/B4: 5.89662  Sterimol/L: 15.9959 
 
 Surface and Volume Properties
  Accessible surface: 499.487  Positive charged surface: 260.322  Negative charged surface: 239.165  Volume: 242.75
  Hydrophobic surface: 329.009  Hydrophilic surface: 170.478
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.