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CHEMDIV-ZINC00256980

 MMsINC code: MMs00846807
Type: Neutral
Formula: C17H11ClFNO3
SMILES:   Clc1ccccc1-c1noc(C)c1C(Oc1cc(F)ccc1)=O
InChI:   InChI=1/C17H11ClFNO3/c1-10-15(17(21)22-12-6-4-5-11(19)9-12)16(20-23-10)13-7-2-3-8-14(13)18/h2-9H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.4198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.73 g/mol  logS: -5.88313  SlogP: 4.66172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0842928  Sterimol/B1: 2.38746  Sterimol/B2: 2.91527  Sterimol/B3: 4.4204
  Sterimol/B4: 9.42614  Sterimol/L: 13.5058 
 
 Surface and Volume Properties
  Accessible surface: 532.066  Positive charged surface: 222.381  Negative charged surface: 309.685  Volume: 284.375
  Hydrophobic surface: 484.687  Hydrophilic surface: 47.379
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.