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OAKWOOD-ZINC04290716

 MMsINC code: MMs02551343
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-/m0/s1

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Potential Energy
Epot(MMFF94)=20.21 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: 0.0815453  Sterimol/B1: 2.10819  Sterimol/B2: 3.28624  Sterimol/B3: 3.57364
  Sterimol/B4: 5.89475  Sterimol/L: 13.2758 
 
 Surface and Volume Properties
  Accessible surface: 443.194  Positive charged surface: 337.105  Negative charged surface: 106.089  Volume: 213.5
  Hydrophobic surface: 326.097  Hydrophilic surface: 117.097
 
 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


MMs02551344
OAKWOOD-ZINC04290716