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PUBCHEM-ZINC02770084

 MMsINC code: MMs02921164
Type: Neutral
Formula: C13H10ClF6NO4
SMILES:   ClC(C(O)(C(OC)=O)C(F)(F)F)C(=O)Nc1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C13H10ClF6NO4/c1-25-10(23)11(24,13(18,19)20)8(14)9(22)21-7-4-2-3-6(5-7)12(15,16)17/h2-5,8,24H,1H3,(H,21,22)/t8-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=86.5795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.667 g/mol  logS: -4.69742  SlogP: 3.869  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0573304  Sterimol/B1: 3.7302  Sterimol/B2: 3.93808  Sterimol/B3: 4.14357
  Sterimol/B4: 4.84449  Sterimol/L: 15.8767 
 
 Surface and Volume Properties
  Accessible surface: 536.105  Positive charged surface: 205.723  Negative charged surface: 330.382  Volume: 276.875
  Hydrophobic surface: 227.841  Hydrophilic surface: 308.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.