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ENAMINE-ZINC03341414

 MMsINC code: MMs01383334
Type: Neutral
Formula: C15H27N3O3
SMILES:   O=C1N(CC(=O)N(C(C)C)C(C)C)C(=O)NC1CC(C)C
InChI:   InChI=1/C15H27N3O3/c1-9(2)7-12-14(20)17(15(21)16-12)8-13(19)18(10(3)4)11(5)6/h9-12H,7-8H2,1-6H3,(H,16,21)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=27.8439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.399 g/mol  logS: -2.96933  SlogP: 1.5983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0937151  Sterimol/B1: 3.00715  Sterimol/B2: 3.87073  Sterimol/B3: 4.20839
  Sterimol/B4: 5.33444  Sterimol/L: 15.1471 
 
 Surface and Volume Properties
  Accessible surface: 556.118  Positive charged surface: 371.619  Negative charged surface: 184.499  Volume: 303.25
  Hydrophobic surface: 330.175  Hydrophilic surface: 225.943
 
 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: no related molecules available.