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CHEMBRIDGE-ZINC00457266

 MMsINC code: MMs00621476
Type: Neutral
Formula: C15H13FN2O4
SMILES:   Fc1ccc([N+](=O)[O-])cc1NC(=O)C(Oc1ccccc1)C
InChI:   InChI=1/C15H13FN2O4/c1-10(22-12-5-3-2-4-6-12)15(19)17-14-9-11(18(20)21)7-8-13(14)16/h2-10H,1H3,(H,17,19)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=101.862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.277 g/mol  logS: -4.84411  SlogP: 3.1399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0363558  Sterimol/B1: 2.35733  Sterimol/B2: 2.54198  Sterimol/B3: 4.1846
  Sterimol/B4: 7.23413  Sterimol/L: 16.0778 
 
 Surface and Volume Properties
  Accessible surface: 522.16  Positive charged surface: 246.423  Negative charged surface: 275.737  Volume: 265.375
  Hydrophobic surface: 379.121  Hydrophilic surface: 143.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.