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AURORAFEINCHEMIE-ZINC05159815

 MMsINC code: MMs00472512
Type: Ionized
Formula: C11H21N2O3-
SMILES:   O=C([O-])C(NC(=O)NC(CC)C)CC(C)C
InChI:   InChI=1/C11H22N2O3/c1-5-8(4)12-11(16)13-9(10(14)15)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)=-2.35656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.3 g/mol  logS: -2.27623  SlogP: 0.2487  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.10498  Sterimol/B1: 3.12613  Sterimol/B2: 3.88335  Sterimol/B3: 4.3263
  Sterimol/B4: 5.41438  Sterimol/L: 13.2468 
 
 Surface and Volume Properties
  Accessible surface: 479.036  Positive charged surface: 316.944  Negative charged surface: 162.092  Volume: 238
  Hydrophobic surface: 280.784  Hydrophilic surface: 198.252
 
 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:


MMs00472511
AURORAFEINCHEMIE-ZINC05159815