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ACROSORGANICS-ZINC00391225

 MMsINC code: MMs00007289
Type: Neutral
Formula: C5H10O2
SMILES:   O1CC(C1)(CO)C
InChI:   InChI=1/C5H10O2/c1-5(2-6)3-7-4-5/h6H,2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.133 g/mol  logS: 0.04242  SlogP: 0.0152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.507957  Sterimol/B1: 1.969  Sterimol/B2: 3.03889  Sterimol/B3: 3.57829
  Sterimol/B4: 4.6628  Sterimol/L: 8.20504 
 
 Surface and Volume Properties
  Accessible surface: 275.282  Positive charged surface: 156.379  Negative charged surface: 50.7299  Volume: 107.5
  Hydrophobic surface: 154.541  Hydrophilic surface: 120.741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.