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AURORAFEINCHEMIE-ZINC05349131

 MMsINC code: MMs00474670
Type: Neutral
Formula: C13H25N3O2
SMILES:   O=C1N(CCCN(CC)CC)C(=O)NC1C(C)C
InChI:   InChI=1/C13H25N3O2/c1-5-15(6-2)8-7-9-16-12(17)11(10(3)4)14-13(16)18/h10-11H,5-9H2,1-4H3,(H,14,18)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=5.90533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.362 g/mol  logS: -1.51932  SlogP: 1.2947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0813565  Sterimol/B1: 2.47355  Sterimol/B2: 2.81521  Sterimol/B3: 5.21392
  Sterimol/B4: 6.384  Sterimol/L: 14.8514 
 
 Surface and Volume Properties
  Accessible surface: 514.602  Positive charged surface: 371.926  Negative charged surface: 142.675  Volume: 269.375
  Hydrophobic surface: 337.393  Hydrophilic surface: 177.209
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00474671
AURORAFEINCHEMIE-ZINC05349131