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CHEMBRIDGE-ZINC01121092

 MMsINC code: MMs00664561
Type: Neutral
Formula: C18H17ClF3NO2
SMILES:   Clc1ccc(NC(=O)COc2cc(cc(C)c2C)C)cc1C(F)(F)F
InChI:   InChI=1/C18H17ClF3NO2/c1-10-6-11(2)12(3)16(7-10)25-9-17(24)23-13-4-5-15(19)14(8-13)18(20,21)22/h4-8H,9H2,1-3H3,(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.5891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.786 g/mol  logS: -6.33084  SlogP: 5.61306  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0221187  Sterimol/B1: 1.9721  Sterimol/B2: 2.65459  Sterimol/B3: 3.72276
  Sterimol/B4: 7.56772  Sterimol/L: 17.9234 
 
 Surface and Volume Properties
  Accessible surface: 606.838  Positive charged surface: 290.05  Negative charged surface: 316.788  Volume: 319.625
  Hydrophobic surface: 465.146  Hydrophilic surface: 141.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.