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CHEMDIV-ZINC02926406

 MMsINC code: MMs00892553
Type: Neutral
Formula: C19H19F2N3O2
SMILES:   Fc1cc(F)ccc1-n1c2c(nc1C)cc(cc2)C(=O)NCCCOC
InChI:   InChI=1/C19H19F2N3O2/c1-12-23-16-10-13(19(25)22-8-3-9-26-2)4-6-18(16)24(12)17-7-5-14(20)11-15(17)21/h4-7,10-11H,3,8-9H2,1-2H3,(H,22,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.0696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.376 g/mol  logS: -4.59524  SlogP: 3.37842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0279945  Sterimol/B1: 2.4434  Sterimol/B2: 3.61538  Sterimol/B3: 3.87676
  Sterimol/B4: 7.66809  Sterimol/L: 19.1631 
 
 Surface and Volume Properties
  Accessible surface: 633.982  Positive charged surface: 394.638  Negative charged surface: 239.343  Volume: 330.625
  Hydrophobic surface: 554.446  Hydrophilic surface: 79.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.