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PUBCHEM-ZINC05936765

 MMsINC code: MMs03453073
Type: Neutral
Formula: C23H18ClN3O2
SMILES:   Clc1ccc(cc1)C(=O)N(Cc1ccccc1)Cc1nc(O)c2c(n1)cccc2
InChI:   InChI=1/C23H18ClN3O2/c24-18-12-10-17(11-13-18)23(29)27(14-16-6-2-1-3-7-16)15-21-25-20-9-5-4-8-19(20)22(28)26-21/h1-13H,14-15H2,(H,25,26,28)

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Potential Energy
Epot(MMFF94)=147.041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.869 g/mol  logS: -6.22578  SlogP: 5.3642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0901207  Sterimol/B1: 2.72753  Sterimol/B2: 3.17677  Sterimol/B3: 4.51978
  Sterimol/B4: 11.1526  Sterimol/L: 15.821 
 
 Surface and Volume Properties
  Accessible surface: 645.258  Positive charged surface: 326.27  Negative charged surface: 314.069  Volume: 373.875
  Hydrophobic surface: 531.595  Hydrophilic surface: 113.663
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.