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PUBCHEM-ZINC04620620

 MMsINC code: MMs03142567
Type: Neutral
Formula: C23H18Cl2N2O
SMILES:   Clc1ccc(cc1)C(OCc1ccc(Cl)cc1)c1ccccc1-n1ccnc1
InChI:   InChI=1/C23H18Cl2N2O/c24-19-9-5-17(6-10-19)15-28-23(18-7-11-20(25)12-8-18)21-3-1-2-4-22(21)27-14-13-26-16-27/h1-14,16,23H,15H2/t23-/m0/s1

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Potential Energy
Epot(MMFF94)=111.638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.316 g/mol  logS: -6.82755  SlogP: 6.8472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.222751  Sterimol/B1: 2.35159  Sterimol/B2: 2.65703  Sterimol/B3: 7.18009
  Sterimol/B4: 10.0801  Sterimol/L: 16.457 
 
 Surface and Volume Properties
  Accessible surface: 653.975  Positive charged surface: 311.219  Negative charged surface: 342.756  Volume: 377.75
  Hydrophobic surface: 620.689  Hydrophilic surface: 33.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.