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PUBCHEM-ZINC01433076

 MMsINC code: MMs02805108
Type: Neutral
Formula: C13H23NO4
SMILES:   O(C(C)(C)C)C(=O)NC1(CCCCCC1)C(O)=O
InChI:   InChI=1/C13H23NO4/c1-12(2,3)18-11(17)14-13(10(15)16)8-6-4-5-7-9-13/h4-9H2,1-3H3,(H,14,17)(H,15,16)

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Potential Energy
Epot(MMFF94)=85.4953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.33 g/mol  logS: -2.80376  SlogP: 2.6887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178578  Sterimol/B1: 2.70978  Sterimol/B2: 3.52063  Sterimol/B3: 4.75953
  Sterimol/B4: 6.00217  Sterimol/L: 11.9963 
 
 Surface and Volume Properties
  Accessible surface: 458.11  Positive charged surface: 323.333  Negative charged surface: 134.777  Volume: 250.625
  Hydrophobic surface: 316.122  Hydrophilic surface: 141.988
 
 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


MMs02805109
PUBCHEM-ZINC01433076