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ACROSORGANICS-ZINC00409277

 MMsINC code: MMs00007953
Type: Neutral
Formula: C7H6F2O
SMILES:   Fc1c(cccc1F)CO
InChI:   InChI=1/C7H6F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.6779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.12 g/mol  logS: -1.74586  SlogP: 1.7235  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0240353  Sterimol/B1: 2.37316  Sterimol/B2: 2.37694  Sterimol/B3: 2.4998
  Sterimol/B4: 5.36339  Sterimol/L: 9.72948 
 
 Surface and Volume Properties
  Accessible surface: 300.769  Positive charged surface: 160.523  Negative charged surface: 140.246  Volume: 123.875
  Hydrophobic surface: 244.274  Hydrophilic surface: 56.495
 
 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.