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MAYBRIDGE-ZINC00598965

 MMsINC code: MMs02147540
Type: Neutral
Formula: C18H18Cl2N2O3
SMILES:   Clc1cncc(Cl)c1NC(=O)c1cc(OC2CCCC2)c(OC)cc1
InChI:   InChI=1/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.457 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.259 g/mol  logS: -4.62199  SlogP: 4.9707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0594977  Sterimol/B1: 2.01305  Sterimol/B2: 3.75514  Sterimol/B3: 4.1311
  Sterimol/B4: 9.7911  Sterimol/L: 15.9507 
 
 Surface and Volume Properties
  Accessible surface: 616.465  Positive charged surface: 392.019  Negative charged surface: 224.446  Volume: 334.375
  Hydrophobic surface: 563.162  Hydrophilic surface: 53.303
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.