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ACROSORGANICS-ZINC01690437

 MMsINC code: MMs00011072
Type: Neutral
Formula: C6H14O2
SMILES:   O(CCCC)CCO
InChI:   InChI=1/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3

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Potential Energy
Epot(MMFF94)=14.0628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 118.176 g/mol  logS: -0.57484  SlogP: 0.7954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0582383  Sterimol/B1: 2.61932  Sterimol/B2: 2.68535  Sterimol/B3: 2.74669
  Sterimol/B4: 3.52401  Sterimol/L: 12.1007 
 
 Surface and Volume Properties
  Accessible surface: 344.75  Positive charged surface: 287.531  Negative charged surface: 57.2188  Volume: 136.75
  Hydrophobic surface: 264.21  Hydrophilic surface: 80.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.