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PUBCHEM-ZINC06440738

 MMsINC code: MMs03731293
Type: Ionized
Formula: C13H23N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CCC(CC1)C)C(CC)C
InChI:   InChI=1/C13H24N2O3/c1-4-10(3)11(12(16)17)14-13(18)15-7-5-9(2)6-8-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/p-1/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=10.7768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.338 g/mol  logS: -2.26997  SlogP: 0.5925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133502  Sterimol/B1: 2.20106  Sterimol/B2: 3.64255  Sterimol/B3: 4.02571
  Sterimol/B4: 6.74974  Sterimol/L: 14.2796 
 
 Surface and Volume Properties
  Accessible surface: 499.931  Positive charged surface: 350.03  Negative charged surface: 149.902  Volume: 262.75
  Hydrophobic surface: 338.576  Hydrophilic surface: 161.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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:


MMs03731292
PUBCHEM-ZINC06440738