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CHEMSTAR-ZINC01957956

 MMsINC code: MMs01079634
Type: Neutral
Formula: C26H34Cl2N4O2+2
SMILES:   Clc1cc2[n+](CCOCCOCC[n+]3c4cc(Cl)ccc4n(CC)c3C)c(n(c2cc1)CC)C
InChI:   InChI=1/C26H34Cl2N4O2/c1-5-29-19(3)31(25-17-21(27)7-9-23(25)29)11-13-33-15-16-34-14-12-32-20(4)30(6-2)24-10-8-22(28)18-26(24)32/h7-10,17-18H,5-6,11-16H2,1-4H3/q+2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.7637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 505.49 g/mol  logS: -5.93874  SlogP: 5.93344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775697  Sterimol/B1: 2.10897  Sterimol/B2: 4.89109  Sterimol/B3: 7.36882
  Sterimol/B4: 7.51702  Sterimol/L: 21.4487 
 
 Surface and Volume Properties
  Accessible surface: 860.024  Positive charged surface: 547.14  Negative charged surface: 312.884  Volume: 490.125
  Hydrophobic surface: 739.681  Hydrophilic surface: 120.343
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 4
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.