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PUBCHEM-ZINC04620616

 MMsINC code: MMs03142566
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-/m1/s1

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Potential Energy
Epot(MMFF94)=116.862 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: 0.301837  Sterimol/B1: 2.50773  Sterimol/B2: 3.25311  Sterimol/B3: 8.33327
  Sterimol/B4: 9.50621  Sterimol/L: 15.193 
 
 Surface and Volume Properties
  Accessible surface: 658.286  Positive charged surface: 318.239  Negative charged surface: 340.047  Volume: 375.875
  Hydrophobic surface: 619.131  Hydrophilic surface: 39.155
 
 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.