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PUBCHEM-ZINC01847857

 MMsINC code: MMs02824685
Type: Neutral
Formula: C7H16O3
SMILES:   O(CCCOC)CCCO
InChI:   InChI=1/C7H16O3/c1-9-5-3-7-10-6-2-4-8/h8H,2-7H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.4998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.202 g/mol  logS: -0.07682  SlogP: 0.4219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.031628  Sterimol/B1: 2.37517  Sterimol/B2: 2.37589  Sterimol/B3: 2.48856
  Sterimol/B4: 2.71523  Sterimol/L: 15.3575 
 
 Surface and Volume Properties
  Accessible surface: 396.905  Positive charged surface: 350.642  Negative charged surface: 46.2639  Volume: 161.375
  Hydrophobic surface: 327.982  Hydrophilic surface: 68.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.