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ACROSORGANICS-ZINC01597712

 MMsINC code: MMs00009744
Type: Neutral
Formula: C6H14O3
SMILES:   OC(CCCCO)CO
InChI:   InChI=1/C6H14O3/c7-4-2-1-3-6(9)5-8/h6-9H,1-5H2/t6-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.0866 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.175 g/mol  logS: 0.41177  SlogP: -0.4978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0736839  Sterimol/B1: 2.63203  Sterimol/B2: 3.11044  Sterimol/B3: 3.15241
  Sterimol/B4: 3.26858  Sterimol/L: 12.8404 
 
 Surface and Volume Properties
  Accessible surface: 346.582  Positive charged surface: 277.003  Negative charged surface: 69.5793  Volume: 139.25
  Hydrophobic surface: 198.858  Hydrophilic surface: 147.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.