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APOLLO-ZINC00391950

 MMsINC code: MMs00048762
Type: Neutral
Formula: C5H10O2
SMILES:   O1CCC(O)CC1
InChI:   InChI=1/C5H10O2/c6-5-1-3-7-4-2-5/h5-6H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.43432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.133 g/mol  logS: -0.08302  SlogP: 0.1577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.26864  Sterimol/B1: 2.46994  Sterimol/B2: 2.58995  Sterimol/B3: 3.13092
  Sterimol/B4: 5.34547  Sterimol/L: 8.14892 
 
 Surface and Volume Properties
  Accessible surface: 267.276  Positive charged surface: 220.413  Negative charged surface: 46.8625  Volume: 104.625
  Hydrophobic surface: 204.628  Hydrophilic surface: 62.648
 
 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.