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PUBCHEM-ZINC06762906

 MMsINC code: MMs03856333
Type: Ionized
Formula: C9H17N2O3-
SMILES:   O=C([O-])C(NC(=O)NC(C)C)C(C)C
InChI:   InChI=1/C9H18N2O3/c1-5(2)7(8(12)13)11-9(14)10-6(3)4/h5-7H,1-4H3,(H,12,13)(H2,10,11,14)/p-1/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=-2.948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.246 g/mol  logS: -1.24579  SlogP: -0.5315  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.126507  Sterimol/B1: 1.969  Sterimol/B2: 3.59195  Sterimol/B3: 4.88471
  Sterimol/B4: 5.09714  Sterimol/L: 12.2043 
 
 Surface and Volume Properties
  Accessible surface: 425.512  Positive charged surface: 272.138  Negative charged surface: 153.374  Volume: 201.25
  Hydrophobic surface: 226.658  Hydrophilic surface: 198.854
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs03856332
PUBCHEM-ZINC06762906