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ACROSORGANICS-ZINC01692451

 MMsINC code: MMs00011128
Type: Neutral
Formula: C5H10O
SMILES:   O1CCCCC1
InChI:   InChI=1/C5H10O/c1-2-4-6-5-3-1/h1-5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.97617 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 86.134 g/mol  logS: -0.48733  SlogP: 1.1869  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.300816  Sterimol/B1: 2.54954  Sterimol/B2: 2.56564  Sterimol/B3: 3.15982
  Sterimol/B4: 4.48502  Sterimol/L: 7.24907 
 
 Surface and Volume Properties
  Accessible surface: 253.304  Positive charged surface: 214.873  Negative charged surface: 38.4313  Volume: 97.375
  Hydrophobic surface: 240.38  Hydrophilic surface: 12.924
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.