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NCID-ZINC01655729

 MMsINC code: MMs02294328
Type: Neutral
Formula: C12H30N4
SMILES:   N(CCN(CCN(C)C)C)(CCN(C)C)C
InChI:   InChI=1/C12H30N4/c1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4/h7-12H2,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.3902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.4 g/mol  logS: 0.8179  SlogP: -0.0268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0415663  Sterimol/B1: 3.22656  Sterimol/B2: 3.50003  Sterimol/B3: 3.61423
  Sterimol/B4: 4.10414  Sterimol/L: 18.0505 
 
 Surface and Volume Properties
  Accessible surface: 534.89  Positive charged surface: 525.368  Negative charged surface: 9.52215  Volume: 274.375
  Hydrophobic surface: 525.368  Hydrophilic surface: 9.5219999999999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs02294329
NCID-ZINC01655729


MMs02294330
NCID-ZINC01655729