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PUBCHEM-ZINC05685845

 MMsINC code: MMs03347501
Type: Neutral
Formula: C11H10FNO3
SMILES:   Fc1ccc(cc1)\C=C(/NC(=O)C)\C(O)=O
InChI:   InChI=1/C11H10FNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-6H,1H3,(H,13,14)(H,15,16)/b10-6+

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Potential Energy
Epot(MMFF94)=62.8627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.203 g/mol  logS: -2.40056  SlogP: 1.3873  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.050273  Sterimol/B1: 2.64269  Sterimol/B2: 3.46135  Sterimol/B3: 3.68911
  Sterimol/B4: 4.00915  Sterimol/L: 13.7275 
 
 Surface and Volume Properties
  Accessible surface: 414.521  Positive charged surface: 221.124  Negative charged surface: 193.397  Volume: 196.5
  Hydrophobic surface: 299.675  Hydrophilic surface: 114.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03347502
PUBCHEM-ZINC05685845