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PUBCHEM-ZINC01433080

 MMsINC code: MMs02805111
Type: Ionized
Formula: C14H24NO4-
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)/p-1

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Potential Energy
Epot(MMFF94)=47.6663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.349 g/mol  logS: -3.57943  SlogP: 1.7441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166079  Sterimol/B1: 3.51779  Sterimol/B2: 4.30593  Sterimol/B3: 4.64061
  Sterimol/B4: 5.03415  Sterimol/L: 13.5528 
 
 Surface and Volume Properties
  Accessible surface: 504.473  Positive charged surface: 352.237  Negative charged surface: 152.236  Volume: 274.25
  Hydrophobic surface: 361.483  Hydrophilic surface: 142.99
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02805110
PUBCHEM-ZINC01433080