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ASINEX-ZINC03028399

MMsINC code: MMs00283823

Type: Neutral
Formula: C18H12F4N2O4
SMILES:   Fc1c(C(=O)NCc2occc2)c(F)c(F)c(F)c1C(=O)NCc1occc1
InChI:   InChI=1/C18H12F4N2O4/c19-13-11(17(25)23-7-9-3-1-5-27-9)14(20)16(22)15(21)12(13)18(26)24-8-10-4-2-6-28-10/h1-6H,7-8H2,(H,23,25)(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=35.6553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.296 g/mol  logS: -5.896  SlogP: 3.8218  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0640521  Sterimol/B1: 2.50168  Sterimol/B2: 3.14563  Sterimol/B3: 5.37796
  Sterimol/B4: 7.87975  Sterimol/L: 19.3684 
 
 Surface and Volume Properties
  Accessible surface: 636.444  Positive charged surface: 278.696  Negative charged surface: 357.748  Volume: 316.875
  Hydrophobic surface: 511.841  Hydrophilic surface: 124.603
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.