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CHEMBLOCK-ZINC04722808

 MMsINC code: MMs00573963
Type: Neutral
Formula: C20H12FNO2
SMILES:   Fc1cc2c(nc(cc2C(O)=O)-c2cc3c(cc2)cccc3)cc1
InChI:   InChI=1/C20H12FNO2/c21-15-7-8-18-16(10-15)17(20(23)24)11-19(22-18)14-6-5-12-3-1-2-4-13(12)9-14/h1-11H,(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.9993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.319 g/mol  logS: -6.51086  SlogP: 4.8923  Reactive groups: 0
 
 Topological Properties
  Globularity: 6.05634e-05  Sterimol/B1: 2.10337  Sterimol/B2: 2.10912  Sterimol/B3: 4.89798
  Sterimol/B4: 6.01321  Sterimol/L: 16.3987 
 
 Surface and Volume Properties
  Accessible surface: 540.786  Positive charged surface: 252.343  Negative charged surface: 266.301  Volume: 290.375
  Hydrophobic surface: 431.682  Hydrophilic surface: 109.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00573964
CHEMBLOCK-ZINC04722808