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CHEMBRIDGE-ZINC04656319

MMsINC code: MMs00774663

Type: Neutral
Formula: C17H18FNO3
SMILES:   Fc1ccc(cc1)C(=O)NC(C)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C17H18FNO3/c1-11(13-6-9-15(21-2)16(10-13)22-3)19-17(20)12-4-7-14(18)8-5-12/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)=80.3963 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: 0.0810707  Sterimol/B1: 2.10487  Sterimol/B2: 2.72636  Sterimol/B3: 5.72964
  Sterimol/B4: 6.75794  Sterimol/L: 15.4443 
 
 Surface and Volume Properties
  Accessible surface: 559.545  Positive charged surface: 364.068  Negative charged surface: 195.477  Volume: 289.25
  Hydrophobic surface: 487.412  Hydrophilic surface: 72.133
 
 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.