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CHEMSTAR-ZINC04078384

MMsINC code: MMs01100214

Type: Neutral
Formula: C26H26Cl2N2O3
SMILES:   Clc1cc(NC(=O)c2cc(OC)c(OCc3ccc(Cl)cc3)cc2)ccc1N1CCCCC1
InChI:   InChI=1/C26H26Cl2N2O3/c1-32-25-15-19(7-12-24(25)33-17-18-5-8-20(27)9-6-18)26(31)29-21-10-11-23(22(28)16-21)30-13-3-2-4-14-30/h5-12,15-16H,2-4,13-14,17H2,1H3,(H,29,31)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=170.971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 485.411 g/mol  logS: -7.37367  SlogP: 7.09  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0243653  Sterimol/B1: 2.28594  Sterimol/B2: 3.48981  Sterimol/B3: 3.89911
  Sterimol/B4: 7.46061  Sterimol/L: 25.7768 
 
 Surface and Volume Properties
  Accessible surface: 798.918  Positive charged surface: 469.922  Negative charged surface: 328.996  Volume: 445.5
  Hydrophobic surface: 735.68  Hydrophilic surface: 63.238
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.