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NCID-ZINC01705508

 MMsINC code: MMs02334020
Type: Neutral
Formula: C7H14O4
SMILES:   O(C(=O)C(O)(O)C(C)C)CC
InChI:   InChI=1/C7H14O4/c1-4-11-6(8)7(9,10)5(2)3/h5,9-10H,4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.9775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.185 g/mol  logS: -0.70755  SlogP: -0.1136  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196122  Sterimol/B1: 2.43205  Sterimol/B2: 3.52248  Sterimol/B3: 3.61264
  Sterimol/B4: 4.5142  Sterimol/L: 11.1755 
 
 Surface and Volume Properties
  Accessible surface: 359.027  Positive charged surface: 237.99  Negative charged surface: 121.038  Volume: 158.875
  Hydrophobic surface: 197.419  Hydrophilic surface: 161.608
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.