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CHEMDIV-ZINC04192067

 MMsINC code: MMs00931696
Type: Neutral
Formula: C20H19Cl2NO
SMILES:   Clc1cc(Cl)ccc1C1Nc2c(C3C1CC=C3)c(ccc2OC)C
InChI:   InChI=1/C20H19Cl2NO/c1-11-6-9-17(24-2)20-18(11)13-4-3-5-14(13)19(23-20)15-8-7-12(21)10-16(15)22/h3-4,6-10,13-14,19,23H,5H2,1-2H3/t13-,14-,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=170.456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.284 g/mol  logS: -5.61346  SlogP: 6.23242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0664769  Sterimol/B1: 2.93212  Sterimol/B2: 3.52537  Sterimol/B3: 4.07302
  Sterimol/B4: 8.84876  Sterimol/L: 15.0774 
 
 Surface and Volume Properties
  Accessible surface: 561.34  Positive charged surface: 308.543  Negative charged surface: 252.797  Volume: 326.625
  Hydrophobic surface: 513.171  Hydrophilic surface: 48.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.