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PUBCHEM-ZINC06174579

 MMsINC code: MMs03580618
Type: Neutral
Formula: C20H21ClFNO3
SMILES:   Clc1cc(ccc1)C(N1CC(CCC1)C(O)=O)c1cc(F)ccc1OC
InChI:   InChI=1/C20H21ClFNO3/c1-26-18-8-7-16(22)11-17(18)19(13-4-2-6-15(21)10-13)23-9-3-5-14(12-23)20(24)25/h2,4,6-8,10-11,14,19H,3,5,9,12H2,1H3,(H,24,25)/t14-,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.2148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.843 g/mol  logS: -4.40858  SlogP: 4.4692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207246  Sterimol/B1: 2.31388  Sterimol/B2: 5.03456  Sterimol/B3: 6.45561
  Sterimol/B4: 7.409  Sterimol/L: 14.2701 
 
 Surface and Volume Properties
  Accessible surface: 599.524  Positive charged surface: 351.448  Negative charged surface: 248.077  Volume: 342.375
  Hydrophobic surface: 507.914  Hydrophilic surface: 91.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.