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ACROSORGANICS-ZINC00164911

MMsINC code: MMs00006325

Type: Neutral
Formula: C6H5FO
SMILES:   Fc1cc(O)ccc1
InChI:   InChI=1/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8H

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=15.1765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 112.103 g/mol  logS: -1.31791  SlogP: 1.5313  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151752  Sterimol/B1: 2.14749  Sterimol/B2: 2.25161  Sterimol/B3: 2.45376
  Sterimol/B4: 5.00985  Sterimol/L: 8.44475 
 
 Surface and Volume Properties
  Accessible surface: 268.273  Positive charged surface: 135.254  Negative charged surface: 133.019  Volume: 102.125
  Hydrophobic surface: 216.344  Hydrophilic surface: 51.929
 
 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.