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NCID-ZINC05187807

 MMsINC code: MMs02446998
Type: Neutral
Formula: C6H14N4
SMILES:   N(C(=N)C(NCC)=N)CC
InChI:   InChI=1/C6H14N4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3,(H2,7,9)(H2,8,10)

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Potential Energy
Epot(MMFF94)=14.2425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.206 g/mol  logS: -0.99162  SlogP: 0.15994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0265321  Sterimol/B1: 2.37652  Sterimol/B2: 2.37664  Sterimol/B3: 3.19162
  Sterimol/B4: 3.99734  Sterimol/L: 13.3852 
 
 Surface and Volume Properties
  Accessible surface: 366.353  Positive charged surface: 268.847  Negative charged surface: 97.5064  Volume: 154.875
  Hydrophobic surface: 190.088  Hydrophilic surface: 176.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02446999
NCID-ZINC05187807