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ACROSORGANICS-ZINC00895048

 MMsINC code: MMs00008122
Type: Neutral
Formula: C3H8O3
SMILES:   OC(CO)CO
InChI:   InChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.7409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 92.094 g/mol  logS: 1.01708  SlogP: -1.6681  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159699  Sterimol/B1: 2.70275  Sterimol/B2: 2.85642  Sterimol/B3: 2.87559
  Sterimol/B4: 3.66576  Sterimol/L: 9.10204 
 
 Surface and Volume Properties
  Accessible surface: 256.73  Positive charged surface: 196.709  Negative charged surface: 60.0216  Volume: 87.75
  Hydrophobic surface: 105.235  Hydrophilic surface: 151.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.