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ACROSORGANICS-ZINC01641624

 MMsINC code: MMs00010120
Type: Neutral
Formula: C3H6O3
SMILES:   O(C(=O)CO)C
InChI:   InChI=1/C3H6O3/c1-6-3(5)2-4/h4H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.5703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 90.078 g/mol  logS: 0.20383  SlogP: -0.8483  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0613548  Sterimol/B1: 2.37493  Sterimol/B2: 2.37546  Sterimol/B3: 2.4011
  Sterimol/B4: 3.18239  Sterimol/L: 9.17976 
 
 Surface and Volume Properties
  Accessible surface: 250.463  Positive charged surface: 194.223  Negative charged surface: 56.2404  Volume: 82.625
  Hydrophobic surface: 147.799  Hydrophilic surface: 102.664
 
 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.