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CHEMBRIDGE-ZINC04762543

 MMsINC code: MMs00786251
Type: Neutral
Formula: C15H30N6O3
SMILES:   O=C1N(C)C(NC(=O)NC(C)(C)C)C(NC(=O)NC(C)(C)C)N1C
InChI:   InChI=1/C15H30N6O3/c1-14(2,3)18-11(22)16-9-10(21(8)13(24)20(9)7)17-12(23)19-15(4,5)6/h9-10H,1-8H3,(H2,16,18,22)(H2,17,19,23)/t9-,10+

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Potential Energy
Epot(MMFF94)=-16.3648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.444 g/mol  logS: -1.29349  SlogP: 0.8312  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.09189  Sterimol/B1: 2.23337  Sterimol/B2: 2.4936  Sterimol/B3: 4.78075
  Sterimol/B4: 9.19452  Sterimol/L: 14.8542 
 
 Surface and Volume Properties
  Accessible surface: 627.323  Positive charged surface: 476.01  Negative charged surface: 151.312  Volume: 342.75
  Hydrophobic surface: 416.719  Hydrophilic surface: 210.604
 
 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.