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ASINEX-ZINC04186691

 MMsINC code: MMs00316088
Type: Neutral
Formula: C15H30N6O3
SMILES:   O=C1N(C)C(NC(=O)NC(CC)C)C(NC(=O)NC(CC)C)N1C
InChI:   InChI=1/C15H30N6O3/c1-7-9(3)16-13(22)18-11-12(21(6)15(24)20(11)5)19-14(23)17-10(4)8-2/h9-12H,7-8H2,1-6H3,(H2,16,18,22)(H2,17,19,23)/t9-,10+,11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=-53.3238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.444 g/mol  logS: -1.04261  SlogP: 0.8312  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0760093  Sterimol/B1: 3.03602  Sterimol/B2: 4.62974  Sterimol/B3: 4.88477
  Sterimol/B4: 7.20385  Sterimol/L: 16.6312 
 
 Surface and Volume Properties
  Accessible surface: 657.423  Positive charged surface: 500.649  Negative charged surface: 156.775  Volume: 343.25
  Hydrophobic surface: 439.781  Hydrophilic surface: 217.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.