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IBS-ZINC02414568

 MMsINC code: MMs01856364
Type: Ionized
Formula: C11H21N2O3-
SMILES:   O=C([O-])C(NC(=O)NCCC(C)C)C(C)C
InChI:   InChI=1/C11H22N2O3/c1-7(2)5-6-12-11(16)13-9(8(3)4)10(14)15/h7-9H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)/p-1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=1.03142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.3 g/mol  logS: -2.15079  SlogP: 0.1062  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0450688  Sterimol/B1: 2.57954  Sterimol/B2: 3.71969  Sterimol/B3: 3.79237
  Sterimol/B4: 4.71243  Sterimol/L: 15.3098 
 
 Surface and Volume Properties
  Accessible surface: 487.389  Positive charged surface: 331.6  Negative charged surface: 155.789  Volume: 237.5
  Hydrophobic surface: 286.945  Hydrophilic surface: 200.444
 
 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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Parent related molecule:


MMs01856363
IBS-ZINC02414568