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PUBCHEM-ZINC06706877

 MMsINC code: MMs03843732
Type: Ionized
Formula: C14H25N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CCCCC1CC)CC(C)C
InChI:   InChI=1/C14H26N2O3/c1-4-11-7-5-6-8-16(11)14(19)15-12(13(17)18)9-10(2)3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/p-1/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=19.0975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.365 g/mol  logS: -2.59718  SlogP: 1.1251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130408  Sterimol/B1: 2.49381  Sterimol/B2: 3.91683  Sterimol/B3: 4.21253
  Sterimol/B4: 8.13114  Sterimol/L: 12.7092 
 
 Surface and Volume Properties
  Accessible surface: 520.249  Positive charged surface: 365.868  Negative charged surface: 154.381  Volume: 278.375
  Hydrophobic surface: 369.102  Hydrophilic surface: 151.147
 
 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:


MMs03843731
PUBCHEM-ZINC06706877