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PUBCHEM-ZINC03872211

 MMsINC code: MMs03081068
Type: Neutral
Formula: C23H26F2N2O4
SMILES:   Fc1cc(cc(F)c1)CC(=O)NC(C(=O)NC(C(OC(C)(C)C)=O)c1ccccc1)C
InChI:   InChI=1/C23H26F2N2O4/c1-14(26-19(28)12-15-10-17(24)13-18(25)11-15)21(29)27-20(16-8-6-5-7-9-16)22(30)31-23(2,3)4/h5-11,13-14,20H,12H2,1-4H3,(H,26,28)(H,27,29)/t14-,20+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.126 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.467 g/mol  logS: -5.83992  SlogP: 3.30667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607849  Sterimol/B1: 2.10166  Sterimol/B2: 5.58746  Sterimol/B3: 5.63015
  Sterimol/B4: 6.4728  Sterimol/L: 19.9084 
 
 Surface and Volume Properties
  Accessible surface: 733.382  Positive charged surface: 431.019  Negative charged surface: 302.362  Volume: 405
  Hydrophobic surface: 581.373  Hydrophilic surface: 152.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.