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ENAMINE-ZINC05966102

 MMsINC code: MMs01649010
Type: Neutral
Formula: C15H10F4N2O4
SMILES:   Fc1c(F)c(F)ccc1NC(=O)C(Oc1cc(F)ccc1[N+](=O)[O-])C
InChI:   InChI=1/C15H10F4N2O4/c1-7(25-12-6-8(16)2-5-11(12)21(23)24)15(22)20-10-4-3-9(17)13(18)14(10)19/h2-7H,1H3,(H,20,22)/t7-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.247 g/mol  logS: -5.72905  SlogP: 3.5572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436715  Sterimol/B1: 2.25393  Sterimol/B2: 3.06101  Sterimol/B3: 4.50539
  Sterimol/B4: 6.4999  Sterimol/L: 16.404 
 
 Surface and Volume Properties
  Accessible surface: 529.664  Positive charged surface: 219.333  Negative charged surface: 310.331  Volume: 271.125
  Hydrophobic surface: 407.654  Hydrophilic surface: 122.01
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.