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NCID-ZINC04769289

 MMsINC code: MMs02402030
Type: Ionized
Formula: C11H9FNO2-
SMILES:   Fc1ccc(cc1)C1=NC(CC1)C(=O)[O-]
InChI:   InChI=1/C11H10FNO2/c12-8-3-1-7(2-4-8)9-5-6-10(13-9)11(14)15/h1-4,10H,5-6H2,(H,14,15)/p-1/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=60.1825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.196 g/mol  logS: -2.56836  SlogP: 0.5271  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453447  Sterimol/B1: 2.80405  Sterimol/B2: 2.96558  Sterimol/B3: 3.18801
  Sterimol/B4: 4.89754  Sterimol/L: 12.4204 
 
 Surface and Volume Properties
  Accessible surface: 393.727  Positive charged surface: 202.848  Negative charged surface: 190.879  Volume: 183.375
  Hydrophobic surface: 288.016  Hydrophilic surface: 105.711
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02402029
NCID-ZINC04769289