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PUBCHEM-ZINC05736229

 MMsINC code: MMs03366110
Type: Neutral
Formula: C5H10O2
SMILES:   O1CCCC1(O)C
InChI:   InChI=1/C5H10O2/c1-5(6)3-2-4-7-5/h6H,2-4H2,1H3/t5-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.95815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.133 g/mol  logS: -0.46619  SlogP: 0.5053  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.353787  Sterimol/B1: 2.47252  Sterimol/B2: 2.89461  Sterimol/B3: 3.70252
  Sterimol/B4: 4.01821  Sterimol/L: 7.91143 
 
 Surface and Volume Properties
  Accessible surface: 274.119  Positive charged surface: 205.818  Negative charged surface: 68.3005  Volume: 106
  Hydrophobic surface: 198.095  Hydrophilic surface: 76.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.