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ACROSORGANICS-ZINC04521538

 MMsINC code: MMs00018322
Type: Neutral
Formula: C4H8O4
SMILES:   O1CC(OCC1O)O
InChI:   InChI=1/C4H8O4/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2/t3-,4+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.0481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 120.104 g/mol  logS: 0.61896  SlogP: -1.33  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140743  Sterimol/B1: 2.24328  Sterimol/B2: 2.72366  Sterimol/B3: 2.76898
  Sterimol/B4: 4.70965  Sterimol/L: 9.05055 
 
 Surface and Volume Properties
  Accessible surface: 275.388  Positive charged surface: 209.789  Negative charged surface: 65.5993  Volume: 103.375
  Hydrophobic surface: 138.52  Hydrophilic surface: 136.868
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.