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CHEMBRIDGE-ZINC05012623

 MMsINC code: MMs00826209
Type: Neutral
Formula: C19H14ClFO5
SMILES:   Clc1cc(F)ccc1COc1cc2OC(=O)C(CC(O)=O)=C(c2cc1)C
InChI:   InChI=1/C19H14ClFO5/c1-10-14-5-4-13(25-9-11-2-3-12(21)6-16(11)20)7-17(14)26-19(24)15(10)8-18(22)23/h2-7H,8-9H2,1H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.4267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.767 g/mol  logS: -5.8363  SlogP: 4.4917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0188353  Sterimol/B1: 2.33945  Sterimol/B2: 2.96102  Sterimol/B3: 3.8703
  Sterimol/B4: 6.47684  Sterimol/L: 19.2227 
 
 Surface and Volume Properties
  Accessible surface: 590.519  Positive charged surface: 283.27  Negative charged surface: 307.249  Volume: 316.375
  Hydrophobic surface: 442.641  Hydrophilic surface: 147.878
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  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


MMs00826210
CHEMBRIDGE-ZINC05012623