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PUBCHEM-ZINC05647358

 MMsINC code: MMs03334204
Type: Neutral
Formula: C10H20O3
SMILES:   O1C(OCC1CO)(CCCC)CC
InChI:   InChI=1/C10H20O3/c1-3-5-6-10(4-2)12-8-9(7-11)13-10/h9,11H,3-8H2,1-2H3/t9-,10+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.7311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.267 g/mol  logS: -1.96648  SlogP: 1.6906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167409  Sterimol/B1: 3.30474  Sterimol/B2: 3.37213  Sterimol/B3: 3.60034
  Sterimol/B4: 7.08146  Sterimol/L: 11.222 
 
 Surface and Volume Properties
  Accessible surface: 423.506  Positive charged surface: 333.627  Negative charged surface: 89.8795  Volume: 201.125
  Hydrophobic surface: 313.381  Hydrophilic surface: 110.125
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.