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ENAMINE-ZINC02509233

 MMsINC code: MMs01251494
Type: Neutral
Formula: C7H16N2
SMILES:   NC1CCN(CC1)CC
InChI:   InChI=1/C7H16N2/c1-2-9-5-3-7(8)4-6-9/h7H,2-6,8H2,1H3

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Potential Energy
Epot(MMFF94)=0.275376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.219 g/mol  logS: -0.05938  SlogP: 0.4294  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130853  Sterimol/B1: 2.569  Sterimol/B2: 3.01825  Sterimol/B3: 3.47077
  Sterimol/B4: 4.42008  Sterimol/L: 10.9936 
 
 Surface and Volume Properties
  Accessible surface: 331.326  Positive charged surface: 280.923  Negative charged surface: 50.4036  Volume: 148.625
  Hydrophobic surface: 248.711  Hydrophilic surface: 82.615
 
 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


MMs01251495
ENAMINE-ZINC02509233