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KEYORGANICS-ZINC04105016

 MMsINC code: MMs02122776
Type: Ionized
Formula: C11H8F2NO3-
SMILES:   Fc1ccc(F)cc1NC(=O)C1CC1C(=O)[O-]
InChI:   InChI=1/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/p-1/t6-,7-/m1/s1

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Potential Energy
Epot(MMFF94)=26.3148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.185 g/mol  logS: -2.29679  SlogP: 0.2893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0365546  Sterimol/B1: 2.72485  Sterimol/B2: 3.17715  Sterimol/B3: 3.82825
  Sterimol/B4: 4.11383  Sterimol/L: 14.2932 
 
 Surface and Volume Properties
  Accessible surface: 427.333  Positive charged surface: 190.573  Negative charged surface: 236.761  Volume: 197.875
  Hydrophobic surface: 277.779  Hydrophilic surface: 149.554
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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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Parent related molecule:


MMs02122775
KEYORGANICS-ZINC04105016