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PUBCHEM-ZINC01999975

 MMsINC code: MMs02842306
Type: Neutral
Formula: C10H24N4
SMILES:   N(C(C)C)(CC(C)C)CCNC(N)=N
InChI:   InChI=1/C10H24N4/c1-8(2)7-14(9(3)4)6-5-13-10(11)12/h8-9H,5-7H2,1-4H3,(H4,11,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.23196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.33 g/mol  logS: -1.19414  SlogP: 0.83587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196317  Sterimol/B1: 2.02794  Sterimol/B2: 2.9924  Sterimol/B3: 5.13181
  Sterimol/B4: 6.52081  Sterimol/L: 12.7982 
 
 Surface and Volume Properties
  Accessible surface: 455.901  Positive charged surface: 339.481  Negative charged surface: 116.419  Volume: 228.875
  Hydrophobic surface: 233.807  Hydrophilic surface: 222.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs02842307
PUBCHEM-ZINC01999975