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PUBCHEM-ZINC05759811

 MMsINC code: MMs03373451
Type: Neutral
Formula: C13H26N4O2
SMILES:   O=C(NC(CC(C)C)CNCC(=O)N)C1NCCC1
InChI:   InChI=1/C13H26N4O2/c1-9(2)6-10(7-15-8-12(14)18)17-13(19)11-4-3-5-16-11/h9-11,15-16H,3-8H2,1-2H3,(H2,14,18)(H,17,19)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=75.0906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.377 g/mol  logS: -1.68735  SlogP: -0.6558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0951793  Sterimol/B1: 2.41694  Sterimol/B2: 2.56643  Sterimol/B3: 4.1652
  Sterimol/B4: 10.0649  Sterimol/L: 13.7882 
 
 Surface and Volume Properties
  Accessible surface: 541.573  Positive charged surface: 427.682  Negative charged surface: 113.891  Volume: 277.375
  Hydrophobic surface: 342.721  Hydrophilic surface: 198.852
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03373452
PUBCHEM-ZINC05759811