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ACROSORGANICS-ZINC01577576

 MMsINC code: MMs00009463
Type: Neutral
Formula: C3H6F2O
SMILES:   FCC(O)CF
InChI:   InChI=1/C3H6F2O/c4-1-3(6)2-5/h3,6H,1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.7703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 96.076 g/mol  logS: -0.03538  SlogP: 0.2863  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.319001  Sterimol/B1: 2.5368  Sterimol/B2: 2.57082  Sterimol/B3: 3.19328
  Sterimol/B4: 3.80336  Sterimol/L: 7.76935 
 
 Surface and Volume Properties
  Accessible surface: 236.557  Positive charged surface: 143.255  Negative charged surface: 93.3023  Volume: 79.625
  Hydrophobic surface: 117.055  Hydrophilic surface: 119.502
 
 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.