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PUBCHEM-ZINC03757141

 MMsINC code: MMs03071700
Type: Neutral
Formula: C17H11ClFNO3
SMILES:   Clc1cc2c(nc(cc2C(O)=O)-c2cc(F)ccc2OC)cc1
InChI:   InChI=1/C17H11ClFNO3/c1-23-16-5-3-10(19)7-13(16)15-8-12(17(21)22)11-6-9(18)2-4-14(11)20-15/h2-8H,1H3,(H,21,22)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.73 g/mol  logS: -5.41765  SlogP: 4.4011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00457586  Sterimol/B1: 2.37251  Sterimol/B2: 2.37744  Sterimol/B3: 2.43546
  Sterimol/B4: 8.60756  Sterimol/L: 15.019 
 
 Surface and Volume Properties
  Accessible surface: 527.526  Positive charged surface: 260.974  Negative charged surface: 253.755  Volume: 283.125
  Hydrophobic surface: 420.298  Hydrophilic surface: 107.228
 
 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


MMs03071701
PUBCHEM-ZINC03757141