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CHEMBRIDGE-ZINC01053588

 MMsINC code: MMs00653688
Type: Neutral
Formula: C18H15ClFN3O2
SMILES:   Clc1cccc(F)c1-c1noc(C)c1C(=O)NC(C)c1ccncc1
InChI:   InChI=1/C18H15ClFN3O2/c1-10(12-6-8-21-9-7-12)22-18(24)15-11(2)25-23-17(15)16-13(19)4-3-5-14(16)20/h3-10H,1-2H3,(H,22,24)/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.2386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.788 g/mol  logS: -4.75217  SlogP: 4.42402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.200945  Sterimol/B1: 2.4606  Sterimol/B2: 3.74694  Sterimol/B3: 5.04327
  Sterimol/B4: 9.37451  Sterimol/L: 13.9121 
 
 Surface and Volume Properties
  Accessible surface: 572.917  Positive charged surface: 304.034  Negative charged surface: 268.883  Volume: 318.875
  Hydrophobic surface: 499.24  Hydrophilic surface: 73.677
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.