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ENAMINE-ZINC03362791

 MMsINC code: MMs01396793
Type: Neutral
Formula: C15H24N4O4
SMILES:   O=C1N(CC(=O)N2CCN(CC2)C(=O)C)C(=O)NC1CC(C)C
InChI:   InChI=1/C15H24N4O4/c1-10(2)8-12-14(22)19(15(23)16-12)9-13(21)18-6-4-17(5-7-18)11(3)20/h10,12H,4-9H2,1-3H3,(H,16,23)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=53.5171 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.381 g/mol  logS: -1.88327  SlogP: -0.3564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.041602  Sterimol/B1: 2.34272  Sterimol/B2: 3.93443  Sterimol/B3: 3.95786
  Sterimol/B4: 5.05864  Sterimol/L: 18.0774 
 
 Surface and Volume Properties
  Accessible surface: 576.656  Positive charged surface: 402.94  Negative charged surface: 173.716  Volume: 308
  Hydrophobic surface: 367.23  Hydrophilic surface: 209.426
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.