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PUBCHEM-ZINC02013028

 MMsINC code: MMs02850310
Type: Neutral
Formula: C15H29N5
SMILES:   n1c(nc(nc1NCC(C)C)NCC(C)C)CC(C)C
InChI:   InChI=1/C15H29N5/c1-10(2)7-13-18-14(16-8-11(3)4)20-15(19-13)17-9-12(5)6/h10-12H,7-9H2,1-6H3,(H2,16,17,18,19,20)

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Potential Energy
Epot(MMFF94)=-40.9372 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.432 g/mol  logS: -3.9326  SlogP: 3.20587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0739145  Sterimol/B1: 2.43219  Sterimol/B2: 4.05981  Sterimol/B3: 6.63107
  Sterimol/B4: 7.11598  Sterimol/L: 14.5017 
 
 Surface and Volume Properties
  Accessible surface: 606.407  Positive charged surface: 460.739  Negative charged surface: 145.667  Volume: 310.625
  Hydrophobic surface: 412.381  Hydrophilic surface: 194.026
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.