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PUBCHEM-ZINC05884421

 MMsINC code: MMs03428040
Type: Neutral
Formula: C19H19ClFN3O4
SMILES:   Clc1ccc(nc1)NC(=O)NC1CC1c1c(OCOC)c(ccc1F)C(=O)C
InChI:   InChI=1/C19H19ClFN3O4/c1-10(25)12-4-5-14(21)17(18(12)28-9-27-2)13-7-15(13)23-19(26)24-16-6-3-11(20)8-22-16/h3-6,8,13,15H,7,9H2,1-2H3,(H2,22,23,24,26)/t13-,15+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.4485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.829 g/mol  logS: -3.77591  SlogP: 3.737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412654  Sterimol/B1: 2.07293  Sterimol/B2: 2.82055  Sterimol/B3: 3.97217
  Sterimol/B4: 9.06209  Sterimol/L: 18.5179 
 
 Surface and Volume Properties
  Accessible surface: 636.455  Positive charged surface: 387.99  Negative charged surface: 248.465  Volume: 355.875
  Hydrophobic surface: 507.585  Hydrophilic surface: 128.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.