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ACROSORGANICS-ZINC03860246

 MMsINC code: MMs00015316
Type: Neutral
Formula: C4H10O3
SMILES:   OC(CCO)CO
InChI:   InChI=1/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2/t4-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.5172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 106.121 g/mol  logS: 0.81531  SlogP: -1.278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123861  Sterimol/B1: 2.54793  Sterimol/B2: 2.56528  Sterimol/B3: 3.26648
  Sterimol/B4: 3.84633  Sterimol/L: 10.3431 
 
 Surface and Volume Properties
  Accessible surface: 285.349  Positive charged surface: 221.713  Negative charged surface: 63.6356  Volume: 103.125
  Hydrophobic surface: 136.867  Hydrophilic surface: 148.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.