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ENAMINE-ZINC03326070

 MMsINC code: MMs01373290
Type: Neutral
Formula: C14H24N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC(C)C)C(=O)NC1(CC(C)C)C
InChI:   InChI=1/C14H24N4O4/c1-8(2)6-14(5)11(20)18(13(22)17-14)7-10(19)16-12(21)15-9(3)4/h8-9H,6-7H2,1-5H3,(H,17,22)(H2,15,16,19,21)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=24.6667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.37 g/mol  logS: -2.97664  SlogP: 0.5772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0514167  Sterimol/B1: 3.03341  Sterimol/B2: 3.74289  Sterimol/B3: 4.21592
  Sterimol/B4: 5.93565  Sterimol/L: 17.6006 
 
 Surface and Volume Properties
  Accessible surface: 566.332  Positive charged surface: 383.384  Negative charged surface: 182.948  Volume: 297.125
  Hydrophobic surface: 304.86  Hydrophilic surface: 261.472
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.