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ENAMINE-ZINC03369176

 MMsINC code: MMs01400661
Type: Neutral
Formula: C15H24N4O6
SMILES:   O=C1N(CC(OCC(=O)NC(=O)NC(C)C)=O)C(=O)NC1(CC)CC
InChI:   InChI=1/C15H24N4O6/c1-5-15(6-2)12(22)19(14(24)18-15)7-11(21)25-8-10(20)17-13(23)16-9(3)4/h9H,5-8H2,1-4H3,(H,18,24)(H2,16,17,20,23)

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Potential Energy
Epot(MMFF94)=11.9566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.379 g/mol  logS: -2.55614  SlogP: -0.1256  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0292314  Sterimol/B1: 2.57166  Sterimol/B2: 3.68841  Sterimol/B3: 4.14707
  Sterimol/B4: 6.26126  Sterimol/L: 19.8657 
 
 Surface and Volume Properties
  Accessible surface: 630.851  Positive charged surface: 423.964  Negative charged surface: 206.887  Volume: 324.875
  Hydrophobic surface: 337.444  Hydrophilic surface: 293.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.