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PUBCHEM-ZINC04186183

 MMsINC code: MMs03097165
Type: Neutral
Formula: C28H26Cl2N4O
SMILES:   Clc1ccccc1-n1nc(cc1C(=O)N1CCN(CC1)c1cc(Cl)ccc1)-c1cc(C)c(cc1
)C
InChI:   InChI=1/C28H26Cl2N4O/c1-19-10-11-21(16-20(19)2)25-18-27(34(31-25)26-9-4-3-8-24(26)30)28(35)33-14-12-32(13-15-33)23-7-5-6-22(29)17-23/h3-11,16-18H,12-15H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=216.375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 505.449 g/mol  logS: -8.41404  SlogP: 6.42534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0787286  Sterimol/B1: 2.61114  Sterimol/B2: 4.35821  Sterimol/B3: 4.79009
  Sterimol/B4: 12.2231  Sterimol/L: 19.6163 
 
 Surface and Volume Properties
  Accessible surface: 789.424  Positive charged surface: 420.33  Negative charged surface: 369.093  Volume: 469.375
  Hydrophobic surface: 746.503  Hydrophilic surface: 42.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  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.