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PUBCHEM-ZINC02935193

 MMsINC code: MMs02962414
Type: Neutral
Formula: C24H22Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1C(=O)Nc1ccc(NC(=O)c2ccc(OCCCC)cc2)cc1
InChI:   InChI=1/C24H22Cl2N2O3/c1-2-3-14-31-20-11-4-16(5-12-20)23(29)27-18-7-9-19(10-8-18)28-24(30)21-13-6-17(25)15-22(21)26/h4-13,15H,2-3,14H2,1H3,(H,27,29)(H,28,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.85 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 457.357 g/mol  logS: -7.88802  SlogP: 6.6769  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130004  Sterimol/B1: 3.26779  Sterimol/B2: 3.58258  Sterimol/B3: 3.60633
  Sterimol/B4: 5.25963  Sterimol/L: 27.0006 
 
 Surface and Volume Properties
  Accessible surface: 774.965  Positive charged surface: 405.609  Negative charged surface: 369.356  Volume: 415.375
  Hydrophobic surface: 678.701  Hydrophilic surface: 96.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.