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PUBCHEM-ZINC05884405

 MMsINC code: MMs03428032
Type: Neutral
Formula: C17H15ClFN3O3
SMILES:   Clc1ccc(nc1)NC(=O)NC1CC1c1c(O)c(ccc1F)C(=O)C
InChI:   InChI=1/C17H15ClFN3O3/c1-8(23)10-3-4-12(19)15(16(10)24)11-6-13(11)21-17(25)22-14-5-2-9(18)7-20-14/h2-5,7,11,13,24H,6H2,1H3,(H2,20,21,22,25)/t11-,13-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.8355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.776 g/mol  logS: -3.51544  SlogP: 3.4599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.055955  Sterimol/B1: 2.30945  Sterimol/B2: 3.71802  Sterimol/B3: 4.97761
  Sterimol/B4: 5.51005  Sterimol/L: 19.6249 
 
 Surface and Volume Properties
  Accessible surface: 606.766  Positive charged surface: 336.312  Negative charged surface: 270.454  Volume: 313.5
  Hydrophobic surface: 431.026  Hydrophilic surface: 175.74
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.