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NCID-ZINC05187935

 MMsINC code: MMs02447015
Type: Neutral
Formula: C10H22N4
SMILES:   N(C(CC)C)C(=N)C(NC(CC)C)=N
InChI:   InChI=1/C10H22N4/c1-5-7(3)13-9(11)10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3,(H2,11,13)(H2,12,14)/t7-,8+

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Potential Energy
Epot(MMFF94)=23.5445 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.314 g/mol  logS: -2.04958  SlogP: 1.71714  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0703327  Sterimol/B1: 2.99514  Sterimol/B2: 3.5631  Sterimol/B3: 3.83488
  Sterimol/B4: 4.37408  Sterimol/L: 13.3396 
 
 Surface and Volume Properties
  Accessible surface: 455.552  Positive charged surface: 327.401  Negative charged surface: 128.151  Volume: 222.875
  Hydrophobic surface: 288.584  Hydrophilic surface: 166.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02447016
NCID-ZINC05187935