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NCID-ZINC00397143

 MMsINC code: MMs02215634
Type: Neutral
Formula: C10H20O3
SMILES:   O(C(=O)C(C(O)(C(C)(C)C)C)C)C
InChI:   InChI=1/C10H20O3/c1-7(8(11)13-6)10(5,12)9(2,3)4/h7,12H,1-6H3/t7-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=96.8211 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.267 g/mol  logS: -1.13959  SlogP: 1.5926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186278  Sterimol/B1: 1.99974  Sterimol/B2: 3.51398  Sterimol/B3: 3.60329
  Sterimol/B4: 5.80848  Sterimol/L: 12.0196 
 
 Surface and Volume Properties
  Accessible surface: 383.977  Positive charged surface: 273.917  Negative charged surface: 110.06  Volume: 199
  Hydrophobic surface: 257.697  Hydrophilic surface: 126.28
 
 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.