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IBS-ZINC04327963

 MMsINC code: MMs01884876
Type: Neutral
Formula: C15H30N6O3
SMILES:   O=C1N(C)C(NC(=O)NCC(C)C)C(NC(=O)NCC(C)C)N1C
InChI:   InChI=1/C15H30N6O3/c1-9(2)7-16-13(22)18-11-12(21(6)15(24)20(11)5)19-14(23)17-8-10(3)4/h9-12H,7-8H2,1-6H3,(H2,16,18,22)(H2,17,19,23)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=-50.6771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.444 g/mol  logS: -0.79173  SlogP: 0.5462  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0834825  Sterimol/B1: 2.39608  Sterimol/B2: 2.47852  Sterimol/B3: 5.46199
  Sterimol/B4: 9.57298  Sterimol/L: 17.3944 
 
 Surface and Volume Properties
  Accessible surface: 673.532  Positive charged surface: 520.273  Negative charged surface: 153.259  Volume: 343.125
  Hydrophobic surface: 445.661  Hydrophilic surface: 227.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.