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CHEMBRIDGE-ZINC02283239

 MMsINC code: MMs00706074
Type: Neutral
Formula: C19H15Cl2F3N2O5S
SMILES:   Clc1cc(Cl)ccc1C(=O)NC(=S)Nc1ccc(cc1OC)C(O)(C(OC)=O)C(F)(F)F
InChI:   InChI=1/C19H15Cl2F3N2O5S/c1-30-14-7-9(18(29,16(28)31-2)19(22,23)24)3-6-13(14)25-17(32)26-15(27)11-5-4-10(20)8-12(11)21/h3-8,29H,1-2H3,(H2,25,26,27,32)/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=191.687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 511.304 g/mol  logS: -7.5995  SlogP: 4.7831  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0509261  Sterimol/B1: 2.33609  Sterimol/B2: 2.55684  Sterimol/B3: 5.55235
  Sterimol/B4: 9.02213  Sterimol/L: 20.8907 
 
 Surface and Volume Properties
  Accessible surface: 714.354  Positive charged surface: 343.514  Negative charged surface: 370.84  Volume: 388.625
  Hydrophobic surface: 471.943  Hydrophilic surface: 242.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.