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ASINEX-ZINC05007966

 MMsINC code: MMs00435142
Type: Neutral
Formula: C13H26N2O
SMILES:   O=C(NC1CC(NC(C1)(C)C)(C)C)CCC
InChI:   InChI=1/C13H26N2O/c1-6-7-11(16)14-10-8-12(2,3)15-13(4,5)9-10/h10,15H,6-9H2,1-5H3,(H,14,16)

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Potential Energy
Epot(MMFF94)=20.0509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.364 g/mol  logS: -2.11562  SlogP: 2.2119  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116087  Sterimol/B1: 3.46009  Sterimol/B2: 3.60105  Sterimol/B3: 4.49215
  Sterimol/B4: 4.97215  Sterimol/L: 14.3352 
 
 Surface and Volume Properties
  Accessible surface: 483.762  Positive charged surface: 362.475  Negative charged surface: 121.286  Volume: 253.875
  Hydrophobic surface: 346.458  Hydrophilic surface: 137.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs00435143
ASINEX-ZINC05007966