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NCID-ZINC01655620

MMsINC code: MMs02294196

Type: Neutral
Formula: C5H14N2
SMILES:   N(CCCN)CC
InChI:   InChI=1/C5H14N2/c1-2-7-5-3-4-6/h7H,2-6H2,1H3

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Potential Energy
Epot(MMFF94)=-8.60667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.181 g/mol  logS: 0.42218  SlogP: -0.0553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.056307  Sterimol/B1: 2.36753  Sterimol/B2: 2.58839  Sterimol/B3: 2.70533
  Sterimol/B4: 3.17455  Sterimol/L: 11.8789 
 
 Surface and Volume Properties
  Accessible surface: 323.905  Positive charged surface: 275.865  Negative charged surface: 48.0404  Volume: 125.5
  Hydrophobic surface: 214.474  Hydrophilic surface: 109.431
 
 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


MMs02294197
NCID-ZINC01655620