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NCID-ZINC05810836

 MMsINC code: MMs02500354
Type: Neutral
Formula: C10H20N4
SMILES:   N(CCCC)C(NCCCC)=NC#N
InChI:   InChI=1/C10H20N4/c1-3-5-7-12-10(14-9-11)13-8-6-4-2/h3-8H2,1-2H3,(H2,12,13,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-23.8634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.298 g/mol  logS: -2.22083  SlogP: 1.60288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0276979  Sterimol/B1: 2.28119  Sterimol/B2: 2.4036  Sterimol/B3: 2.46706
  Sterimol/B4: 8.32005  Sterimol/L: 15.2927 
 
 Surface and Volume Properties
  Accessible surface: 491.717  Positive charged surface: 369.198  Negative charged surface: 122.519  Volume: 221.875
  Hydrophobic surface: 319.934  Hydrophilic surface: 171.783
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.