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CHEMBRIDGE-ZINC01891125

 MMsINC code: MMs00699533
Type: Neutral
Formula: C10H5ClF6N2O2
SMILES:   Clc1ccc(cc1NC(=O)NC(=O)C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C10H5ClF6N2O2/c11-5-2-1-4(9(12,13)14)3-6(5)18-8(21)19-7(20)10(15,16)17/h1-3H,(H2,18,19,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.0991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.603 g/mol  logS: -4.68933  SlogP: 4.3006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0252692  Sterimol/B1: 2.34868  Sterimol/B2: 2.97675  Sterimol/B3: 4.71951
  Sterimol/B4: 5.21405  Sterimol/L: 13.3993 
 
 Surface and Volume Properties
  Accessible surface: 461.722  Positive charged surface: 111.415  Negative charged surface: 350.308  Volume: 218
  Hydrophobic surface: 158.147  Hydrophilic surface: 303.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.