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AURORAFEINCHEMIE-ZINC02430212

 MMsINC code: MMs00453444
Type: Ionized
Formula: C11H21N2O3-
SMILES:   O=C([O-])C(NC(=O)NCCCCC)C(C)C
InChI:   InChI=1/C11H22N2O3/c1-4-5-6-7-12-11(16)13-9(8(2)3)10(14)15/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)=-4.55044 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.3 g/mol  logS: -2.15079  SlogP: 0.2503  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0397199  Sterimol/B1: 3.04691  Sterimol/B2: 3.37373  Sterimol/B3: 3.65112
  Sterimol/B4: 4.86171  Sterimol/L: 16.4726 
 
 Surface and Volume Properties
  Accessible surface: 500.028  Positive charged surface: 345.997  Negative charged surface: 154.031  Volume: 237.875
  Hydrophobic surface: 312.25  Hydrophilic surface: 187.778
 
 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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MMs00453443
AURORAFEINCHEMIE-ZINC02430212