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PUBCHEM-ZINC02850373

 MMsINC code: MMs02937841
Type: Neutral
Formula: C23H19Cl3N2O4
SMILES:   Clc1ccccc1C(=O)Nc1ccc(NC(=O)C(Oc2ccc(Cl)cc2Cl)C)cc1OC
InChI:   InChI=1/C23H19Cl3N2O4/c1-13(32-20-10-7-14(24)11-18(20)26)22(29)27-15-8-9-19(21(12-15)31-2)28-23(30)16-5-3-4-6-17(16)25/h3-13H,1-2H3,(H,27,29)(H,28,30)/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 493.774 g/mol  logS: -7.98214  SlogP: 6.3137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0394983  Sterimol/B1: 1.98118  Sterimol/B2: 5.20382  Sterimol/B3: 6.00337
  Sterimol/B4: 6.62175  Sterimol/L: 23.2951 
 
 Surface and Volume Properties
  Accessible surface: 766.346  Positive charged surface: 370.086  Negative charged surface: 396.26  Volume: 419.75
  Hydrophobic surface: 676.242  Hydrophilic surface: 90.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.