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CHEMSTAR-ZINC03632115

 MMsINC code: MMs01085645
Type: Neutral
Formula: C10H24N2
SMILES:   N(CCC(C)C)CCCCCN
InChI:   InChI=1/C10H24N2/c1-10(2)6-9-12-8-5-3-4-7-11/h10,12H,3-9,11H2,1-2H3

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Potential Energy
Epot(MMFF94)=-0.838383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -1.21357  SlogP: 1.7511  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0316406  Sterimol/B1: 2.40115  Sterimol/B2: 2.80024  Sterimol/B3: 3.10529
  Sterimol/B4: 4.33302  Sterimol/L: 16.8524 
 
 Surface and Volume Properties
  Accessible surface: 464.126  Positive charged surface: 390.662  Negative charged surface: 73.4641  Volume: 212.75
  Hydrophobic surface: 337.996  Hydrophilic surface: 126.13
 
 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


MMs01085646
CHEMSTAR-ZINC03632115