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ACROSORGANICS-ZINC01866958

 MMsINC code: MMs00012166
Type: Neutral
Formula: C4H10O3
SMILES:   O(CC(O)CO)C
InChI:   InChI=1/C4H10O3/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3/t4-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.5473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 106.121 g/mol  logS: 0.6719  SlogP: -1.014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965485  Sterimol/B1: 2.77728  Sterimol/B2: 2.87933  Sterimol/B3: 2.98034
  Sterimol/B4: 3.55763  Sterimol/L: 10.4664 
 
 Surface and Volume Properties
  Accessible surface: 290.206  Positive charged surface: 241.807  Negative charged surface: 48.3985  Volume: 106.125
  Hydrophobic surface: 182.716  Hydrophilic surface: 107.49
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.