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PUBCHEM-ZINC05817328

 MMsINC code: MMs03396539
Type: Ionized
Formula: C11H19N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CCCC1)CC(C)C
InChI:   InChI=1/C11H20N2O3/c1-8(2)7-9(10(14)15)12-11(16)13-5-3-4-6-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/p-1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=9.12501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.284 g/mol  logS: -1.86643  SlogP: -0.0436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143796  Sterimol/B1: 2.45233  Sterimol/B2: 2.57617  Sterimol/B3: 4.81822
  Sterimol/B4: 6.65509  Sterimol/L: 12.2868 
 
 Surface and Volume Properties
  Accessible surface: 458.638  Positive charged surface: 318.77  Negative charged surface: 139.868  Volume: 226.5
  Hydrophobic surface: 315.69  Hydrophilic surface: 142.948
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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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MMs03396538
PUBCHEM-ZINC05817328