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CHEMBRIDGE-ZINC04749883

 MMsINC code: MMs00783439
Type: Neutral
Formula: C19H20ClFN2O2
SMILES:   Clc1cccc(F)c1C(=O)N1CCN(CC1)Cc1cc(OC)ccc1
InChI:   InChI=1/C19H20ClFN2O2/c1-25-15-5-2-4-14(12-15)13-22-8-10-23(11-9-22)19(24)18-16(20)6-3-7-17(18)21/h2-7,12H,8-11,13H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.7711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.832 g/mol  logS: -4.3193  SlogP: 3.7121  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0976601  Sterimol/B1: 2.46384  Sterimol/B2: 4.13618  Sterimol/B3: 4.40296
  Sterimol/B4: 8.46801  Sterimol/L: 14.5553 
 
 Surface and Volume Properties
  Accessible surface: 597.004  Positive charged surface: 368.937  Negative charged surface: 228.068  Volume: 333.25
  Hydrophobic surface: 551.356  Hydrophilic surface: 45.648
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00783440
CHEMBRIDGE-ZINC04749883