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MDPI-ZINC03846282

 MMsINC code: MMs02179743
Type: Neutral
Formula: C17H30O3
SMILES:   O(C(=O)C(C(C)C)C(=O)C)C1CC(CCC1C(C)C)C
InChI:   InChI=1/C17H30O3/c1-10(2)14-8-7-12(5)9-15(14)20-17(19)16(11(3)4)13(6)18/h10-12,14-16H,7-9H2,1-6H3/t12-,14-,15-,16+/m1/s1

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Potential Energy
Epot(MMFF94)=62.718 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.424 g/mol  logS: -4.67012  SlogP: 3.8516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153017  Sterimol/B1: 2.4195  Sterimol/B2: 3.25263  Sterimol/B3: 4.10137
  Sterimol/B4: 7.72004  Sterimol/L: 12.6452 
 
 Surface and Volume Properties
  Accessible surface: 507.085  Positive charged surface: 355.907  Negative charged surface: 151.178  Volume: 306.875
  Hydrophobic surface: 396.049  Hydrophilic surface: 111.036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.