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PUBCHEM-ZINC05178774

 MMsINC code: MMs03221008
Type: Neutral
Formula: C10H19N5
SMILES:   N(CCC#N)CCNCCNCCC#N
InChI:   InChI=1/C10H19N5/c11-3-1-5-13-7-9-15-10-8-14-6-2-4-12/h13-15H,1-2,5-10H2

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Potential Energy
Epot(MMFF94)=15.9747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.297 g/mol  logS: 0.59006  SlogP: -0.417432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0197895  Sterimol/B1: 2.2763  Sterimol/B2: 2.48081  Sterimol/B3: 2.65765
  Sterimol/B4: 3.39416  Sterimol/L: 20.4018 
 
 Surface and Volume Properties
  Accessible surface: 515.021  Positive charged surface: 402.513  Negative charged surface: 112.509  Volume: 233.5
  Hydrophobic surface: 298.287  Hydrophilic surface: 216.734
 
 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


MMs03221009
PUBCHEM-ZINC05178774