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ENAMINE-ZINC03229512

 MMsINC code: MMs01318275
Type: Neutral
Formula: C15H10F4N2O4
SMILES:   Fc1c(F)c(cc(F)c1F)C(=O)NCC(O)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C15H10F4N2O4/c16-10-5-9(12(17)14(19)13(10)18)15(23)20-6-11(22)7-1-3-8(4-2-7)21(24)25/h1-5,11,22H,6H2,(H,20,23)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=81.2528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.247 g/mol  logS: -5.06652  SlogP: 2.7101  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522825  Sterimol/B1: 2.42912  Sterimol/B2: 3.69419  Sterimol/B3: 4.59594
  Sterimol/B4: 4.84745  Sterimol/L: 18.1025 
 
 Surface and Volume Properties
  Accessible surface: 546.23  Positive charged surface: 219.51  Negative charged surface: 326.72  Volume: 272.125
  Hydrophobic surface: 385.024  Hydrophilic surface: 161.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.