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COMGENEX-ZINC06705724

 MMsINC code: MMs01189245
Type: Neutral
Formula: C23H16F2NO3-
SMILES:   Fc1ccccc1COc1c2cc(n(c2ccc1)Cc1cc(F)ccc1)C(=O)[O-]
InChI:   InChI=1/C23H17F2NO3/c24-17-7-3-5-15(11-17)13-26-20-9-4-10-22(18(20)12-21(26)23(27)28)29-14-16-6-1-2-8-19(16)25/h1-12H,13-14H2,(H,27,28)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.381 g/mol  logS: -6.1277  SlogP: 4.4431  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0819017  Sterimol/B1: 3.16664  Sterimol/B2: 4.05779  Sterimol/B3: 4.64866
  Sterimol/B4: 7.8281  Sterimol/L: 17.8345 
 
 Surface and Volume Properties
  Accessible surface: 630.215  Positive charged surface: 296.189  Negative charged surface: 328.574  Volume: 358.125
  Hydrophobic surface: 541.262  Hydrophilic surface: 88.953
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01189246
COMGENEX-ZINC06705724