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ACROSORGANICS-ZINC01744499

 MMsINC code: MMs00011793
Type: Neutral
Formula: C5H14N2
SMILES:   N(CCCNC)C
InChI:   InChI=1/C5H14N2/c1-6-4-3-5-7-2/h6-7H,3-5H2,1-2H3

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Potential Energy
Epot(MMFF94)=-1.98521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 102.181 g/mol  logS: 0.67381  SlogP: -0.1847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0535789  Sterimol/B1: 2.40278  Sterimol/B2: 2.54336  Sterimol/B3: 2.81306
  Sterimol/B4: 3.17589  Sterimol/L: 12.0558 
 
 Surface and Volume Properties
  Accessible surface: 324.947  Positive charged surface: 305.181  Negative charged surface: 19.7665  Volume: 127.875
  Hydrophobic surface: 271.787  Hydrophilic surface: 53.16
 
 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


MMs00011794
ACROSORGANICS-ZINC01744499