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OAKWOOD-ZINC04290715

 MMsINC code: MMs02551341
Type: Neutral
Formula: C10H24N2
SMILES:   N(C(C)(C)C)CCNC(CC)C
InChI:   InChI=1/C10H24N2/c1-6-9(2)11-7-8-12-10(3,4)5/h9,11-12H,6-8H2,1-5H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=18.4924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -0.96224  SlogP: 1.7626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0893373  Sterimol/B1: 2.08686  Sterimol/B2: 3.37466  Sterimol/B3: 3.41693
  Sterimol/B4: 5.89122  Sterimol/L: 13.2763 
 
 Surface and Volume Properties
  Accessible surface: 442.686  Positive charged surface: 338.709  Negative charged surface: 103.977  Volume: 213.625
  Hydrophobic surface: 322.125  Hydrophilic surface: 120.561
 
 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


MMs02551342
OAKWOOD-ZINC04290715