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ENAMINE-ZINC06652931

 MMsINC code: MMs01693318
Type: Neutral
Formula: C19H17ClFNO2
SMILES:   Clc1cc2c(OC(=O)C=C2CN(Cc2cc(F)ccc2)C)cc1C
InChI:   InChI=1/C19H17ClFNO2/c1-12-6-18-16(9-17(12)20)14(8-19(23)24-18)11-22(2)10-13-4-3-5-15(21)7-13/h3-9H,10-11H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.6685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.801 g/mol  logS: -5.63612  SlogP: 4.48832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0948178  Sterimol/B1: 2.77413  Sterimol/B2: 2.8082  Sterimol/B3: 4.04308
  Sterimol/B4: 8.3774  Sterimol/L: 14.898 
 
 Surface and Volume Properties
  Accessible surface: 566.172  Positive charged surface: 297.49  Negative charged surface: 268.681  Volume: 315.75
  Hydrophobic surface: 487.504  Hydrophilic surface: 78.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs01693319
ENAMINE-ZINC06652931