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PUBCHEM-ZINC00394681

 MMsINC code: MMs02672763
Type: Neutral
Formula: C10H13FO
SMILES:   Fc1ccc(cc1)C(O)CCC
InChI:   InChI=1/C10H13FO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10,12H,2-3H2,1H3/t10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.2865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.211 g/mol  logS: -2.49508  SlogP: 2.7547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10767  Sterimol/B1: 2.15941  Sterimol/B2: 3.51547  Sterimol/B3: 3.68269
  Sterimol/B4: 4.43038  Sterimol/L: 12.6639 
 
 Surface and Volume Properties
  Accessible surface: 373.783  Positive charged surface: 222.699  Negative charged surface: 151.084  Volume: 172.25
  Hydrophobic surface: 314.849  Hydrophilic surface: 58.934
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.