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PUBCHEM-ZINC03746300

 MMsINC code: MMs03068360
Type: Neutral
Formula: C18H15ClFNO3
SMILES:   Clc1c2c([nH]c(-c3cc(F)c(OC)cc3)c2CC(O)=O)c(cc1)C
InChI:   InChI=1/C18H15ClFNO3/c1-9-3-5-12(19)16-11(8-15(22)23)18(21-17(9)16)10-4-6-14(24-2)13(20)7-10/h3-7,21H,8H2,1-2H3,(H,22,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.6717 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.773 g/mol  logS: -5.34095  SlogP: 4.57149  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0469934  Sterimol/B1: 2.12973  Sterimol/B2: 2.62267  Sterimol/B3: 3.79645
  Sterimol/B4: 9.24871  Sterimol/L: 15.8236 
 
 Surface and Volume Properties
  Accessible surface: 549.84  Positive charged surface: 301.054  Negative charged surface: 245.043  Volume: 302.875
  Hydrophobic surface: 450.62  Hydrophilic surface: 99.22
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs03068361
PUBCHEM-ZINC03746300