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PUBCHEM-ZINC05134089

 MMsINC code: MMs03209006
Type: Neutral
Formula: C10H25N5
SMILES:   N(CCN1CCN(CC1)CCN)CCN
InChI:   InChI=1/C10H25N5/c11-1-3-13-4-6-15-9-7-14(5-2-12)8-10-15/h13H,1-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.4835 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.345 g/mol  logS: 1.31518  SlogP: -1.889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0312313  Sterimol/B1: 2.57146  Sterimol/B2: 2.72294  Sterimol/B3: 3.29905
  Sterimol/B4: 5.19509  Sterimol/L: 17.3443 
 
 Surface and Volume Properties
  Accessible surface: 490.104  Positive charged surface: 453.123  Negative charged surface: 36.9807  Volume: 238.375
  Hydrophobic surface: 333.681  Hydrophilic surface: 156.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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


MMs03209007
PUBCHEM-ZINC05134089