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ACROSORGANICS-ZINC00391843

 MMsINC code: MMs00007319
Type: Neutral
Formula: C5H12O4
SMILES:   OCC(CO)(CO)CO
InChI:   InChI=1/C5H12O4/c6-1-5(2-7,3-8)4-9/h6-9H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.8373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 136.147 g/mol  logS: 1.26873  SlogP: -2.058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.500331  Sterimol/B1: 2.1143  Sterimol/B2: 3.30425  Sterimol/B3: 3.88188
  Sterimol/B4: 5.80295  Sterimol/L: 9.10738 
 
 Surface and Volume Properties
  Accessible surface: 312.208  Positive charged surface: 267.492  Negative charged surface: 44.7154  Volume: 127.625
  Hydrophobic surface: 135.766  Hydrophilic surface: 176.442
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.