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IFLAB-ZINC03911800

 MMsINC code: MMs02006844
Type: Neutral
Formula: C19H16F2N2O3
SMILES:   Fc1cc(ccc1F)C(=O)NCCc1cc2c(nc1O)cc(OC)cc2
InChI:   InChI=1/C19H16F2N2O3/c1-26-14-4-2-11-8-13(19(25)23-17(11)10-14)6-7-22-18(24)12-3-5-15(20)16(21)9-12/h2-5,8-10H,6-7H2,1H3,(H,22,24)(H,23,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.3054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.344 g/mol  logS: -4.53857  SlogP: 3.19967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0416359  Sterimol/B1: 3.29805  Sterimol/B2: 3.40112  Sterimol/B3: 4.43143
  Sterimol/B4: 5.14503  Sterimol/L: 21.0367 
 
 Surface and Volume Properties
  Accessible surface: 603.647  Positive charged surface: 344.915  Negative charged surface: 253.324  Volume: 317.25
  Hydrophobic surface: 476.983  Hydrophilic surface: 126.664
 
 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: no related molecules available.