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CHEMDIV-ZINC01907458

 MMsINC code: MMs00869304
Type: Neutral
Formula: C25H19Cl3N2O3
SMILES:   Clc1cc(cc(Cl)c1)C(=O)N(CCCCN1C(=O)c2c(cccc2)C1=O)c1ccc(Cl)cc
1
InChI:   InChI=1/C25H19Cl3N2O3/c26-17-7-9-20(10-8-17)29(23(31)16-13-18(27)15-19(28)14-16)11-3-4-12-30-24(32)21-5-1-2-6-22(21)25(30)33/h1-2,5-10,13-15H,3-4,11-12H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=152.043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 501.797 g/mol  logS: -8.19948  SlogP: 6.37  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0316166  Sterimol/B1: 2.33733  Sterimol/B2: 4.25941  Sterimol/B3: 6.80778
  Sterimol/B4: 8.86542  Sterimol/L: 17.7131 
 
 Surface and Volume Properties
  Accessible surface: 723.88  Positive charged surface: 305.017  Negative charged surface: 418.863  Volume: 429.75
  Hydrophobic surface: 634.602  Hydrophilic surface: 89.278
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.