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CHEMDIV-ZINC02926254

 MMsINC code: MMs00892478
Type: Neutral
Formula: C17H15F2N3O2
SMILES:   Fc1cc(-n2c3c(nc2)cc(cc3)C(=O)NCCOC)ccc1F
InChI:   InChI=1/C17H15F2N3O2/c1-24-7-6-20-17(23)11-2-5-16-15(8-11)21-10-22(16)12-3-4-13(18)14(19)9-12/h2-5,8-10H,6-7H2,1H3,(H,20,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.8437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.322 g/mol  logS: -4.40118  SlogP: 2.6799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0264886  Sterimol/B1: 2.44553  Sterimol/B2: 2.57858  Sterimol/B3: 3.41708
  Sterimol/B4: 7.49126  Sterimol/L: 16.8225 
 
 Surface and Volume Properties
  Accessible surface: 572.711  Positive charged surface: 355.511  Negative charged surface: 217.2  Volume: 294.625
  Hydrophobic surface: 495.101  Hydrophilic surface: 77.61
 
 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.