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ENAMINE-ZINC06525532

 MMsINC code: MMs01667543
Type: Neutral
Formula: C18H23ClFNO3
SMILES:   Clc1cccc(F)c1CC(OCC(=O)NC1CCCC(C)C1C)=O
InChI:   InChI=1/C18H23ClFNO3/c1-11-5-3-8-16(12(11)2)21-17(22)10-24-18(23)9-13-14(19)6-4-7-15(13)20/h4,6-7,11-12,16H,3,5,8-10H2,1-2H3,(H,21,22)/t11-,12+,16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.1888 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.837 g/mol  logS: -5.21805  SlogP: 3.50567  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0638252  Sterimol/B1: 2.51342  Sterimol/B2: 3.42238  Sterimol/B3: 5.3886
  Sterimol/B4: 5.6822  Sterimol/L: 17.9958 
 
 Surface and Volume Properties
  Accessible surface: 614.383  Positive charged surface: 362.784  Negative charged surface: 251.599  Volume: 329.125
  Hydrophobic surface: 512.799  Hydrophilic surface: 101.584
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.