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NCID-ZINC04769289

 MMsINC code: MMs02402029
Type: Neutral
Formula: C11H10FNO2
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)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=47.7547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.204 g/mol  logS: -2.30791  SlogP: 1.8618  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0389588  Sterimol/B1: 2.68715  Sterimol/B2: 2.82195  Sterimol/B3: 3.08441
  Sterimol/B4: 4.91758  Sterimol/L: 13.3719 
 
 Surface and Volume Properties
  Accessible surface: 400.121  Positive charged surface: 226.311  Negative charged surface: 173.81  Volume: 187.625
  Hydrophobic surface: 289.796  Hydrophilic surface: 110.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02402030
NCID-ZINC04769289