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ACROSORGANICS-ZINC00404765

 MMsINC code: MMs00007771
Type: Neutral
Formula: C5H10O2
SMILES:   O(C(=O)CCC)C
InChI:   InChI=1/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.02968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.133 g/mol  logS: -0.72306  SlogP: 0.9595  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0610595  Sterimol/B1: 2.3746  Sterimol/B2: 2.37623  Sterimol/B3: 2.57182
  Sterimol/B4: 3.10469  Sterimol/L: 10.7288 
 
 Surface and Volume Properties
  Accessible surface: 292.995  Positive charged surface: 230.951  Negative charged surface: 62.0446  Volume: 111.75
  Hydrophobic surface: 228.156  Hydrophilic surface: 64.839
 
 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.