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PUBCHEM-ZINC06174983

 MMsINC code: MMs03581058
Type: Neutral
Formula: C20H22FNO3
SMILES:   Fc1ccc(cc1)C(N1CCCCC1C(O)=O)c1ccccc1OC
InChI:   InChI=1/C20H22FNO3/c1-25-18-8-3-2-6-16(18)19(14-9-11-15(21)12-10-14)22-13-5-4-7-17(22)20(23)24/h2-3,6,8-12,17,19H,4-5,7,13H2,1H3,(H,23,24)/t17-,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=113.656 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.398 g/mol  logS: -4.11958  SlogP: 3.9583  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.401659  Sterimol/B1: 3.6384  Sterimol/B2: 4.61969  Sterimol/B3: 6.20814
  Sterimol/B4: 6.73747  Sterimol/L: 12.9372 
 
 Surface and Volume Properties
  Accessible surface: 555.067  Positive charged surface: 357.202  Negative charged surface: 197.865  Volume: 326.75
  Hydrophobic surface: 483.446  Hydrophilic surface: 71.621
 
 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.