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OTAVA-ZINC01925514

 MMsINC code: MMs02568058
Type: Neutral
Formula: C24H15Cl4NO4
SMILES:   Clc1ccccc1C=1Oc2c(cc(Cl)cc2)C(=O)C=1OC(C(=O)Nc1cc(Cl)cc(Cl)c
1)C
InChI:   InChI=1/C24H15Cl4NO4/c1-12(24(31)29-16-9-14(26)8-15(27)10-16)32-23-21(30)18-11-13(25)6-7-20(18)33-22(23)17-4-2-3-5-19(17)28/h2-12H,1H3,(H,29,31)/t12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=125.921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 523.199 g/mol  logS: -9.8957  SlogP: 7.2879  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0769322  Sterimol/B1: 2.14162  Sterimol/B2: 3.63399  Sterimol/B3: 5.37228
  Sterimol/B4: 8.35063  Sterimol/L: 19.3325 
 
 Surface and Volume Properties
  Accessible surface: 724.017  Positive charged surface: 279.847  Negative charged surface: 444.17  Volume: 426.5
  Hydrophobic surface: 653.541  Hydrophilic surface: 70.476
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.