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CHEMBRIDGE-ZINC00955495

 MMsINC code: MMs00648398
Type: Neutral
Formula: C23H20Cl2N2O4
SMILES:   Clc1cc(NC(=O)COc2ccc(cc2)C(=O)Nc2ccccc2OCC)cc(Cl)c1
InChI:   InChI=1/C23H20Cl2N2O4/c1-2-30-21-6-4-3-5-20(21)27-23(29)15-7-9-19(10-8-15)31-14-22(28)26-18-12-16(24)11-17(25)13-18/h3-13H,2,14H2,1H3,(H,26,28)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 459.329 g/mol  logS: -7.24785  SlogP: 5.6619  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0154654  Sterimol/B1: 2.3351  Sterimol/B2: 3.46387  Sterimol/B3: 4.56219
  Sterimol/B4: 9.21165  Sterimol/L: 22.5778 
 
 Surface and Volume Properties
  Accessible surface: 759.842  Positive charged surface: 385.757  Negative charged surface: 374.085  Volume: 406.125
  Hydrophobic surface: 647.763  Hydrophilic surface: 112.079
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.