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ACROSORGANICS-ZINC01602066

 MMsINC code: MMs00009800
Type: Neutral
Formula: C10H11FO2
SMILES:   Fc1ccc(cc1)CCCC(O)=O
InChI:   InChI=1/C10H11FO2/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,1-3H2,(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.2938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.194 g/mol  logS: -2.10787  SlogP: 2.23297  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0897656  Sterimol/B1: 2.42139  Sterimol/B2: 2.91314  Sterimol/B3: 3.79018
  Sterimol/B4: 4.81825  Sterimol/L: 13.3636 
 
 Surface and Volume Properties
  Accessible surface: 385.05  Positive charged surface: 220.918  Negative charged surface: 164.132  Volume: 174.875
  Hydrophobic surface: 285.506  Hydrophilic surface: 99.544
 
 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


MMs00009801
ACROSORGANICS-ZINC01602066