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CHEMBRIDGE-ZINC00447287

 MMsINC code: MMs00617701
Type: Neutral
Formula: C18H18ClFN2O
SMILES:   Clc1cc(ccc1)C(=O)N1CCN(CC1)Cc1cc(F)ccc1
InChI:   InChI=1/C18H18ClFN2O/c19-16-5-2-4-15(12-16)18(23)22-9-7-21(8-10-22)13-14-3-1-6-17(20)11-14/h1-6,11-12H,7-10,13H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.2351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.806 g/mol  logS: -4.26892  SlogP: 3.7035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060937  Sterimol/B1: 3.06643  Sterimol/B2: 3.55126  Sterimol/B3: 3.60311
  Sterimol/B4: 6.12464  Sterimol/L: 16.8983 
 
 Surface and Volume Properties
  Accessible surface: 562.252  Positive charged surface: 312.863  Negative charged surface: 249.389  Volume: 307
  Hydrophobic surface: 521.182  Hydrophilic surface: 41.07
 
 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


MMs00617702
CHEMBRIDGE-ZINC00447287