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PUBCHEM-ZINC01357859

 MMsINC code: MMs02799154
Type: Neutral
Formula: C15H24N4O
SMILES:   O=C(NC(CC)(C)C)C1CCCN(C1)c1ncccn1
InChI:   InChI=1/C15H24N4O/c1-4-15(2,3)18-13(20)12-7-5-10-19(11-12)14-16-8-6-9-17-14/h6,8-9,12H,4-5,7,10-11H2,1-3H3,(H,18,20)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=67.133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.384 g/mol  logS: -2.48172  SlogP: 1.9978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628194  Sterimol/B1: 3.01994  Sterimol/B2: 3.49458  Sterimol/B3: 3.73528
  Sterimol/B4: 6.93586  Sterimol/L: 15.2125 
 
 Surface and Volume Properties
  Accessible surface: 529.755  Positive charged surface: 416.599  Negative charged surface: 113.156  Volume: 283.5
  Hydrophobic surface: 425.303  Hydrophilic surface: 104.452
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.