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PUBCHEM-ZINC06186790

 MMsINC code: MMs03587878
Type: Neutral
Formula: C15H29NO4
SMILES:   O(C(C)(C)C)C(=O)NCCCCCCCCCC(O)=O
InChI:   InChI=1/C15H29NO4/c1-15(2,3)20-14(19)16-12-10-8-6-4-5-7-9-11-13(17)18/h4-12H2,1-3H3,(H,16,19)(H,17,18)

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Potential Energy
Epot(MMFF94)=3.19741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.4 g/mol  logS: -3.36551  SlogP: 3.7165  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.020018  Sterimol/B1: 2.24349  Sterimol/B2: 2.37486  Sterimol/B3: 4.04352
  Sterimol/B4: 4.87438  Sterimol/L: 22.8826 
 
 Surface and Volume Properties
  Accessible surface: 625.451  Positive charged surface: 466.878  Negative charged surface: 158.573  Volume: 305.625
  Hydrophobic surface: 421.041  Hydrophilic surface: 204.41
 
 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


MMs03587879
PUBCHEM-ZINC06186790