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PUBCHEM-ZINC01213264

 MMsINC code: MMs02788950
Type: Neutral
Formula: C24H18ClN3O6
SMILES:   Clc1ccccc1C(=O)N\C(=C\c1cc([N+](=O)[O-])ccc1)\C(=O)Nc1cc(ccc
1)C(OC)=O
InChI:   InChI=1/C24H18ClN3O6/c1-34-24(31)16-7-5-8-17(14-16)26-23(30)21(13-15-6-4-9-18(12-15)28(32)33)27-22(29)19-10-2-3-11-20(19)25/h2-14H,1H3,(H,26,30)(H,27,29)/b21-13-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=179.569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 479.876 g/mol  logS: -7.77296  SlogP: 4.4444  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0698849  Sterimol/B1: 2.54518  Sterimol/B2: 6.04356  Sterimol/B3: 6.45076
  Sterimol/B4: 8.60858  Sterimol/L: 18.7477 
 
 Surface and Volume Properties
  Accessible surface: 744.844  Positive charged surface: 359.761  Negative charged surface: 385.083  Volume: 415
  Hydrophobic surface: 573.35  Hydrophilic surface: 171.494
 
 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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.