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ACROSORGANICS-ZINC01599375

 MMsINC code: MMs00009771
Type: Neutral
Formula: C4H10O2
SMILES:   OCCCCO
InChI:   InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.39434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 90.122 g/mol  logS: 0.411  SlogP: -0.2488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0876404  Sterimol/B1: 1.485  Sterimol/B2: 1.48558  Sterimol/B3: 3.26493
  Sterimol/B4: 3.72056  Sterimol/L: 10.3499 
 
 Surface and Volume Properties
  Accessible surface: 275.158  Positive charged surface: 223.36  Negative charged surface: 51.7983  Volume: 95.625
  Hydrophobic surface: 166.882  Hydrophilic surface: 108.276
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.