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CHEMBLOCK-ZINC03672087

 MMsINC code: MMs00540236
Type: Neutral
Formula: C16H10Cl2F2N2O
SMILES:   Clc1cc2nccc(Nc3ccc(OC(Cl)(F)F)cc3)c2cc1
InChI:   InChI=1/C16H10Cl2F2N2O/c17-10-1-6-13-14(7-8-21-15(13)9-10)22-11-2-4-12(5-3-11)23-16(18,19)20/h1-9H,(H,21,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.118 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.171 g/mol  logS: -5.95895  SlogP: 6.2196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0275797  Sterimol/B1: 2.18398  Sterimol/B2: 3.98252  Sterimol/B3: 4.26491
  Sterimol/B4: 4.86432  Sterimol/L: 18.7805 
 
 Surface and Volume Properties
  Accessible surface: 537.428  Positive charged surface: 203.762  Negative charged surface: 327.836  Volume: 287.5
  Hydrophobic surface: 368.006  Hydrophilic surface: 169.422
 
 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.