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IBS-ZINC02105872

 MMsINC code: MMs01786263
Type: Neutral
Formula: C11H20O3
SMILES:   O1C(=O)C(CC1CO)CCCCCC
InChI:   InChI=1/C11H20O3/c1-2-3-4-5-6-9-7-10(8-12)14-11(9)13/h9-10,12H,2-8H2,1H3/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=20.3841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.278 g/mol  logS: -2.80657  SlogP: 1.8808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0579607  Sterimol/B1: 2.74965  Sterimol/B2: 3.3366  Sterimol/B3: 3.71608
  Sterimol/B4: 3.79451  Sterimol/L: 16.0173 
 
 Surface and Volume Properties
  Accessible surface: 451.415  Positive charged surface: 346.315  Negative charged surface: 105.099  Volume: 213.25
  Hydrophobic surface: 320.421  Hydrophilic surface: 130.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.