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PUBCHEM-ZINC01433080

 MMsINC code: MMs02805110
Type: Neutral
Formula: C14H25NO4
SMILES:   O(C(C)(C)C)C(=O)NC1(CCCCCCC1)C(O)=O
InChI:   InChI=1/C14H25NO4/c1-13(2,3)19-12(18)15-14(11(16)17)9-7-5-4-6-8-10-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)

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Potential Energy
Epot(MMFF94)=119.442 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.357 g/mol  logS: -3.31898  SlogP: 3.0788  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156325  Sterimol/B1: 3.46385  Sterimol/B2: 4.24312  Sterimol/B3: 4.28129
  Sterimol/B4: 5.05731  Sterimol/L: 13.2172 
 
 Surface and Volume Properties
  Accessible surface: 482.788  Positive charged surface: 345.461  Negative charged surface: 137.327  Volume: 267.375
  Hydrophobic surface: 335.98  Hydrophilic surface: 146.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02805111
PUBCHEM-ZINC01433080