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CHEMSTAR-ZINC04208093

 MMsINC code: MMs01111617
Type: Neutral
Formula: C18H15Cl2F3N2O5
SMILES:   Clc1cc(NC(=O)Nc2ccc(cc2OC)C(O)(C(OC)=O)C(F)(F)F)ccc1Cl
InChI:   InChI=1/C18H15Cl2F3N2O5/c1-29-14-7-9(17(28,15(26)30-2)18(21,22)23)3-6-13(14)25-16(27)24-10-4-5-11(19)12(20)8-10/h3-8,28H,1-2H3,(H2,24,25,27)/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=132.028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 467.227 g/mol  logS: -6.03319  SlogP: 5.3003  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.064303  Sterimol/B1: 2.44942  Sterimol/B2: 2.66338  Sterimol/B3: 5.33135
  Sterimol/B4: 9.39976  Sterimol/L: 18.5149 
 
 Surface and Volume Properties
  Accessible surface: 672.133  Positive charged surface: 344.449  Negative charged surface: 327.684  Volume: 360.5
  Hydrophobic surface: 469.679  Hydrophilic surface: 202.454
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.