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PUBCHEM-ZINC05758493

 MMsINC code: MMs03372951
Type: Neutral
Formula: C10H24N2
SMILES:   NC(CCCCCC(C)C)CN
InChI:   InChI=1/C10H24N2/c1-9(2)6-4-3-5-7-10(12)8-11/h9-10H,3-8,11-12H2,1-2H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=15.0395 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -2.59356  SlogP: 1.8789  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0419246  Sterimol/B1: 2.49025  Sterimol/B2: 2.82031  Sterimol/B3: 2.96715
  Sterimol/B4: 4.28433  Sterimol/L: 15.7054 
 
 Surface and Volume Properties
  Accessible surface: 448.897  Positive charged surface: 376.903  Negative charged surface: 71.9938  Volume: 213.625
  Hydrophobic surface: 298.698  Hydrophilic surface: 150.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03372952
PUBCHEM-ZINC05758493