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NCID-ZINC05812236

 MMsINC code: MMs02501403
Type: Neutral
Formula: C7H14O4
SMILES:   O1C(CO)C(O)CCC1OC
InChI:   InChI=1/C7H14O4/c1-10-7-3-2-5(9)6(4-8)11-7/h5-9H,2-4H2,1H3/t5-,6-,7-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.6997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.185 g/mol  logS: 0.09615  SlogP: -0.5089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165401  Sterimol/B1: 2.88194  Sterimol/B2: 3.29408  Sterimol/B3: 4.17081
  Sterimol/B4: 5.22975  Sterimol/L: 9.91701 
 
 Surface and Volume Properties
  Accessible surface: 354.859  Positive charged surface: 297.632  Negative charged surface: 57.2271  Volume: 155.375
  Hydrophobic surface: 252.098  Hydrophilic surface: 102.761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.