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NCID-ZINC01657806

 MMsINC code: MMs02295878
Type: Ionized
Formula: C10H24N4+2
SMILES:   [NH2+]1CCN2CCN(CC1)CC[NH2+]CC2
InChI:   InChI=1/C10H22N4/c1-5-13-7-3-12-4-8-14(10-9-13)6-2-11-1/h11-12H,1-10H2/p+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=102.314 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.33 g/mol  logS: 0.8309  SlogP: -3.2556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.457012  Sterimol/B1: 2.87975  Sterimol/B2: 3.18797  Sterimol/B3: 4.79043
  Sterimol/B4: 5.82292  Sterimol/L: 9.68232 
 
 Surface and Volume Properties
  Accessible surface: 386.985  Positive charged surface: 386.985  Negative charged surface: 0  Volume: 222.625
  Hydrophobic surface: 311.142  Hydrophilic surface: 75.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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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Parent related molecule:


MMs02295876
NCID-ZINC01657806