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MAYBRIDGE-ZINC00140756

 MMsINC code: MMs02139449
Type: Neutral
Formula: C17H11Cl2NO3
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(Oc1ccccc1)=O
InChI:   InChI=1/C17H11Cl2NO3/c1-10-14(17(21)22-11-6-3-2-4-7-11)16(20-23-10)15-12(18)8-5-9-13(15)19/h2-9H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.185 g/mol  logS: -6.32244  SlogP: 5.17602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117263  Sterimol/B1: 2.38806  Sterimol/B2: 4.22399  Sterimol/B3: 4.78187
  Sterimol/B4: 9.4381  Sterimol/L: 12.8556 
 
 Surface and Volume Properties
  Accessible surface: 536.624  Positive charged surface: 218.033  Negative charged surface: 318.591  Volume: 297.75
  Hydrophobic surface: 496.377  Hydrophilic surface: 40.247
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.