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PUBCHEM-ZINC06357782

 MMsINC code: MMs03684130
Type: Ionized
Formula: C11H21N2O3-
SMILES:   O=C([O-])C(NC(=O)NCC(C)C)C(CC)C
InChI:   InChI=1/C11H22N2O3/c1-5-8(4)9(10(14)15)13-11(16)12-6-7(2)3/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/p-1/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.73564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.3 g/mol  logS: -1.83734  SlogP: 0.1062  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0716482  Sterimol/B1: 2.35948  Sterimol/B2: 2.87212  Sterimol/B3: 3.97317
  Sterimol/B4: 6.41286  Sterimol/L: 14.874 
 
 Surface and Volume Properties
  Accessible surface: 486.603  Positive charged surface: 326.913  Negative charged surface: 159.69  Volume: 237.625
  Hydrophobic surface: 290.119  Hydrophilic surface: 196.484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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:


MMs03684129
PUBCHEM-ZINC06357782