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APOLLO-ZINC02243178

 MMsINC code: MMs00051137
Type: Neutral
Formula: C7H8FNO
SMILES:   Fc1ccc(N)cc1CO
InChI:   InChI=1/C7H8FNO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.1796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.145 g/mol  logS: -1.17176  SlogP: 1.1666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0200218  Sterimol/B1: 2.37367  Sterimol/B2: 2.37644  Sterimol/B3: 3.54001
  Sterimol/B4: 4.59144  Sterimol/L: 9.37162 
 
 Surface and Volume Properties
  Accessible surface: 311.364  Positive charged surface: 198.965  Negative charged surface: 112.399  Volume: 132.125
  Hydrophobic surface: 194.335  Hydrophilic surface: 117.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.