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FDA-ZINC01530648

 MMsINC code: MMs01725509
Type: Neutral
Formula: C10H24N4+2
SMILES:   [NH2+]=C(NCC[NH+]1CCCCCCC1)N
InChI:   InChI=1/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13)/p+2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-17.6024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.33 g/mol  logS: -1.23133  SlogP: -2.5012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116606  Sterimol/B1: 2.21707  Sterimol/B2: 3.29961  Sterimol/B3: 4.89229
  Sterimol/B4: 5.09947  Sterimol/L: 13.3945 
 
 Surface and Volume Properties
  Accessible surface: 449.65  Positive charged surface: 395.06  Negative charged surface: 54.5904  Volume: 223.875
  Hydrophobic surface: 287.158  Hydrophilic surface: 162.492
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 4
  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


MMs01725510
FDA-ZINC01530648