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ACROSORGANICS-ZINC00895316

 MMsINC code: MMs00008163
Type: Neutral
Formula: C3H8O2
SMILES:   OC(CO)C
InChI:   InChI=1/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.4812 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 76.095 g/mol  logS: 0.48733  SlogP: -0.6405  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.303211  Sterimol/B1: 2.23182  Sterimol/B2: 2.64623  Sterimol/B3: 2.79805
  Sterimol/B4: 4.07047  Sterimol/L: 7.46295 
 
 Surface and Volume Properties
  Accessible surface: 238.564  Positive charged surface: 184.962  Negative charged surface: 53.602  Volume: 80.75
  Hydrophobic surface: 121.624  Hydrophilic surface: 116.94
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.