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PUBCHEM-ZINC05726543

 MMsINC code: MMs03360684
Type: Neutral
Formula: C10H22N2O
SMILES:   O=C(NCCCN(C)C)C(C)(C)C
InChI:   InChI=1/C10H22N2O/c1-10(2,3)9(13)11-7-6-8-12(4)5/h6-8H2,1-5H3,(H,11,13)

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Potential Energy
Epot(MMFF94)=21.5981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.299 g/mol  logS: -0.47544  SlogP: 1.1004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0675232  Sterimol/B1: 2.60923  Sterimol/B2: 2.64626  Sterimol/B3: 4.05221
  Sterimol/B4: 4.27989  Sterimol/L: 14.4955 
 
 Surface and Volume Properties
  Accessible surface: 451.366  Positive charged surface: 369.766  Negative charged surface: 81.5996  Volume: 214.5
  Hydrophobic surface: 363.989  Hydrophilic surface: 87.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs03360685
PUBCHEM-ZINC05726543