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PUBCHEM-ZINC06255954

 MMsINC code: MMs03641405
Type: Ionized
Formula: C11H21N2O4-
SMILES:   O(CCCNC(=O)NC(CC(C)C)C(=O)[O-])C
InChI:   InChI=1/C11H22N2O4/c1-8(2)7-9(10(14)15)13-11(16)12-5-4-6-17-3/h8-9H,4-7H2,1-3H3,(H,14,15)(H2,12,13,16)/p-1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=2.1456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.299 g/mol  logS: -1.76445  SlogP: -0.5133  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.064679  Sterimol/B1: 2.50501  Sterimol/B2: 2.53027  Sterimol/B3: 4.66133
  Sterimol/B4: 7.29325  Sterimol/L: 15.4823 
 
 Surface and Volume Properties
  Accessible surface: 514.738  Positive charged surface: 379.423  Negative charged surface: 135.315  Volume: 246.375
  Hydrophobic surface: 334.281  Hydrophilic surface: 180.457
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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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Parent related molecule:


MMs03641404
PUBCHEM-ZINC06255954