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ENAMINE-ZINC03487460

 MMsINC code: MMs01469266
Type: Neutral
Formula: C13H23N3O3
SMILES:   O=C1N(CC(=O)NCC(C)C)C(=O)NC1CC(C)C
InChI:   InChI=1/C13H23N3O3/c1-8(2)5-10-12(18)16(13(19)15-10)7-11(17)14-6-9(3)4/h8-10H,5-7H2,1-4H3,(H,14,17)(H,15,19)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=9.41239 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.345 g/mol  logS: -2.49723  SlogP: 0.7251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0523231  Sterimol/B1: 2.15631  Sterimol/B2: 2.5463  Sterimol/B3: 4.71407
  Sterimol/B4: 5.45174  Sterimol/L: 17.7365 
 
 Surface and Volume Properties
  Accessible surface: 541.096  Positive charged surface: 370.381  Negative charged surface: 170.715  Volume: 269.75
  Hydrophobic surface: 313.263  Hydrophilic surface: 227.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.