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OAKWOOD-ZINC01258977

 MMsINC code: MMs02543162
Type: Neutral
Formula: C14H11FO2
SMILES:   Fc1cc(ccc1)-c1ccc(cc1)CC(O)=O
InChI:   InChI=1/C14H11FO2/c15-13-3-1-2-12(9-13)11-6-4-10(5-7-11)8-14(16)17/h1-7,9H,8H2,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.8999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.238 g/mol  logS: -4.13711  SlogP: 3.11977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0364207  Sterimol/B1: 2.42157  Sterimol/B2: 2.8961  Sterimol/B3: 3.2435
  Sterimol/B4: 5.06087  Sterimol/L: 14.8088 
 
 Surface and Volume Properties
  Accessible surface: 439.671  Positive charged surface: 218.123  Negative charged surface: 210.476  Volume: 216.125
  Hydrophobic surface: 345.58  Hydrophilic surface: 94.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02543163
OAKWOOD-ZINC01258977