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CHEMDIV-ZINC04798728

 MMsINC code: MMs00957399
Type: Neutral
Formula: C26H24ClFN2O5
SMILES:   Clc1cc(NC(=O)C2c3c(cc(OC)c(OC)c3)C(=O)N(C)C2c2ccccc2F)c(OC)c
c1
InChI:   InChI=1/C26H24ClFN2O5/c1-30-24(15-7-5-6-8-18(15)28)23(25(31)29-19-11-14(27)9-10-20(19)33-2)16-12-21(34-3)22(35-4)13-17(16)26(30)32/h5-13,23-24H,1-4H3,(H,29,31)/t23-,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=169.466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 498.938 g/mol  logS: -6.42819  SlogP: 5.1496  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.217709  Sterimol/B1: 2.06873  Sterimol/B2: 2.97105  Sterimol/B3: 7.67802
  Sterimol/B4: 10.7995  Sterimol/L: 16.5368 
 
 Surface and Volume Properties
  Accessible surface: 726.579  Positive charged surface: 494.632  Negative charged surface: 231.947  Volume: 440.75
  Hydrophobic surface: 659.894  Hydrophilic surface: 66.685
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.