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MDPI-ZINC03846420

 MMsINC code: MMs02179894
Type: Neutral
Formula: C18H32O3
SMILES:   O(C(=O)C(C(=O)C)(CCC)C)C1CC(CCC1C(C)C)C
InChI:   InChI=1/C18H32O3/c1-7-10-18(6,14(5)19)17(20)21-16-11-13(4)8-9-15(16)12(2)3/h12-13,15-16H,7-11H2,1-6H3/t13-,15-,16+,18+/m1/s1

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Potential Energy
Epot(MMFF94)=58.2546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.451 g/mol  logS: -4.87189  SlogP: 4.3858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12903  Sterimol/B1: 2.47007  Sterimol/B2: 4.06494  Sterimol/B3: 5.01033
  Sterimol/B4: 6.12223  Sterimol/L: 14.9863 
 
 Surface and Volume Properties
  Accessible surface: 547.122  Positive charged surface: 375.5  Negative charged surface: 171.622  Volume: 324.625
  Hydrophobic surface: 419.314  Hydrophilic surface: 127.808
 
 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.