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CHEMBRIDGE-ZINC00306037

 MMsINC code: MMs00605049
Type: Neutral
Formula: C17H18FNO3
SMILES:   Fc1cc(ccc1)C(=O)NC(C)c1cc(OC)ccc1OC
InChI:   InChI=1/C17H18FNO3/c1-11(15-10-14(21-2)7-8-16(15)22-3)19-17(20)12-5-4-6-13(18)9-12/h4-11H,1-3H3,(H,19,20)/t11-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.6008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.333 g/mol  logS: -4.02186  SlogP: 3.4294  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651033  Sterimol/B1: 2.17258  Sterimol/B2: 3.63183  Sterimol/B3: 5.31561
  Sterimol/B4: 8.18495  Sterimol/L: 14.3252 
 
 Surface and Volume Properties
  Accessible surface: 551.007  Positive charged surface: 353.721  Negative charged surface: 197.286  Volume: 289.75
  Hydrophobic surface: 486.862  Hydrophilic surface: 64.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.