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CHEMBLOCK-ZINC04722691

 MMsINC code: MMs00573895
Type: Neutral
Formula: C15H11F2NO2
SMILES:   Fc1cc(ccc1C)C1(O)c2cc(F)ccc2NC1=O
InChI:   InChI=1/C15H11F2NO2/c1-8-2-3-9(6-12(8)17)15(20)11-7-10(16)4-5-13(11)18-14(15)19/h2-7,20H,1H3,(H,18,19)/t15-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.5856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.254 g/mol  logS: -4.02516  SlogP: 2.77272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142488  Sterimol/B1: 2.9495  Sterimol/B2: 3.15596  Sterimol/B3: 3.99656
  Sterimol/B4: 5.97151  Sterimol/L: 13.03 
 
 Surface and Volume Properties
  Accessible surface: 458.909  Positive charged surface: 230.129  Negative charged surface: 228.78  Volume: 239
  Hydrophobic surface: 355.538  Hydrophilic surface: 103.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.