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CHEMDIV-ZINC03063304

 MMsINC code: MMs00909369
Type: Neutral
Formula: C24H23ClN2O3
SMILES:   Clc1ccccc1C1=CC(=O)N(C2=C1CCC2)CC(=O)NCc1ccc(OC)cc1
InChI:   InChI=1/C24H23ClN2O3/c1-30-17-11-9-16(10-12-17)14-26-23(28)15-27-22-8-4-6-19(22)20(13-24(27)29)18-5-2-3-7-21(18)25/h2-3,5,7,9-13H,4,6,8,14-15H2,1H3,(H,26,28)

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Potential Energy
Epot(MMFF94)=97.6884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.912 g/mol  logS: -5.50982  SlogP: 4.595  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0406017  Sterimol/B1: 3.33181  Sterimol/B2: 4.55445  Sterimol/B3: 4.88575
  Sterimol/B4: 5.15209  Sterimol/L: 22.3463 
 
 Surface and Volume Properties
  Accessible surface: 711.929  Positive charged surface: 441.03  Negative charged surface: 270.899  Volume: 398
  Hydrophobic surface: 618.561  Hydrophilic surface: 93.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.