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PUBCHEM-ZINC06203881

 MMsINC code: MMs03611455
Type: Ionized
Formula: C14H27N2O4-
SMILES:   O(CCCC)CCCNC(=O)NC(C(CC)C)C(=O)[O-]
InChI:   InChI=1/C14H28N2O4/c1-4-6-9-20-10-7-8-15-14(19)16-12(13(17)18)11(3)5-2/h11-12H,4-10H2,1-3H3,(H,17,18)(H2,15,16,19)/p-1/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=-0.717876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.38 g/mol  logS: -2.4952  SlogP: 0.657  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0449535  Sterimol/B1: 2.83791  Sterimol/B2: 4.62659  Sterimol/B3: 4.66778
  Sterimol/B4: 5.22948  Sterimol/L: 19.4788 
 
 Surface and Volume Properties
  Accessible surface: 607.682  Positive charged surface: 443.603  Negative charged surface: 164.079  Volume: 298
  Hydrophobic surface: 413.829  Hydrophilic surface: 193.853
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs03611454
PUBCHEM-ZINC06203881