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PUBCHEM-ZINC02147214

 MMsINC code: MMs02876763
Type: Neutral
Formula: C10H10FNO2
SMILES:   Fc1ccc(NC(OCC=C)=O)cc1
InChI:   InChI=1/C10H10FNO2/c1-2-7-14-10(13)12-9-5-3-8(11)4-6-9/h2-6H,1,7H2,(H,12,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.1296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.193 g/mol  logS: -2.455  SlogP: 2.5602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0171793  Sterimol/B1: 2.14804  Sterimol/B2: 3.21691  Sterimol/B3: 3.71743
  Sterimol/B4: 4.07936  Sterimol/L: 14.8103 
 
 Surface and Volume Properties
  Accessible surface: 411.226  Positive charged surface: 227.107  Negative charged surface: 184.12  Volume: 182.625
  Hydrophobic surface: 286.507  Hydrophilic surface: 124.719
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.