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MDPI-ZINC03845859

 MMsINC code: MMs02179234
Type: Neutral
Formula: C15H28O4
SMILES:   O1C(C)(C)C(CCC1(C(O)(CC)CC)C)C(OC)=O
InChI:   InChI=1/C15H28O4/c1-7-15(17,8-2)14(5)10-9-11(12(16)18-6)13(3,4)19-14/h11,17H,7-10H2,1-6H3/t11-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=104.906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.385 g/mol  logS: -2.28726  SlogP: 2.6744  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.289087  Sterimol/B1: 2.14062  Sterimol/B2: 3.48676  Sterimol/B3: 6.06725
  Sterimol/B4: 6.20822  Sterimol/L: 12.7271 
 
 Surface and Volume Properties
  Accessible surface: 482.721  Positive charged surface: 356.978  Negative charged surface: 125.743  Volume: 286
  Hydrophobic surface: 364.553  Hydrophilic surface: 118.168
 
 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.