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CHEMBRIDGE-ZINC01175998

 MMsINC code: MMs00680468
Type: Neutral
Formula: C26H19ClN2O6
SMILES:   Clc1ccccc1COc1ccc(cc1)\C=C\1/C(=O)N(c2ccc(cc2)C(OC)=O)C(=O)N
C/1=O
InChI:   InChI=1/C26H19ClN2O6/c1-34-25(32)17-8-10-19(11-9-17)29-24(31)21(23(30)28-26(29)33)14-16-6-12-20(13-7-16)35-15-18-4-2-3-5-22(18)27/h2-14H,15H2,1H3,(H,28,30,33)/b21-14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.899 g/mol  logS: -7.46327  SlogP: 4.6384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0269451  Sterimol/B1: 2.49357  Sterimol/B2: 4.80767  Sterimol/B3: 5.33925
  Sterimol/B4: 5.37298  Sterimol/L: 25.4358 
 
 Surface and Volume Properties
  Accessible surface: 771.659  Positive charged surface: 423.047  Negative charged surface: 348.612  Volume: 428
  Hydrophobic surface: 604.816  Hydrophilic surface: 166.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.