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CHEMDIV-ZINC04759638

 MMsINC code: MMs00947844
Type: Neutral
Formula: C26H22F2N2O5
SMILES:   Fc1cc(F)ccc1NC(=O)C1CCC(=O)N(C1c1ccc(OC)cc1)c1cc2OCOc2cc1
InChI:   InChI=1/C26H22F2N2O5/c1-33-18-6-2-15(3-7-18)25-19(26(32)29-21-9-4-16(27)12-20(21)28)8-11-24(31)30(25)17-5-10-22-23(13-17)35-14-34-22/h2-7,9-10,12-13,19,25H,8,11,14H2,1H3,(H,29,32)/t19-,25-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=203.378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.467 g/mol  logS: -5.82976  SlogP: 4.9206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.261479  Sterimol/B1: 2.57395  Sterimol/B2: 2.62651  Sterimol/B3: 6.50592
  Sterimol/B4: 10.6449  Sterimol/L: 15.1024 
 
 Surface and Volume Properties
  Accessible surface: 678.156  Positive charged surface: 414.122  Negative charged surface: 264.035  Volume: 416
  Hydrophobic surface: 571.971  Hydrophilic surface: 106.185
 
 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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.