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PUBCHEM-ZINC06358484

 MMsINC code: MMs03684890
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+/m0/s1

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Potential Energy
Epot(MMFF94)=-0.916436 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: 0.102876  Sterimol/B1: 2.47875  Sterimol/B2: 3.44552  Sterimol/B3: 3.76367
  Sterimol/B4: 7.49038  Sterimol/L: 13.0661 
 
 Surface and Volume Properties
  Accessible surface: 483.503  Positive charged surface: 322.082  Negative charged surface: 161.422  Volume: 238.375
  Hydrophobic surface: 284.57  Hydrophilic surface: 198.933
 
 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:


MMs03684889
PUBCHEM-ZINC06358484