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ENAMINE-ZINC05257082

 MMsINC code: MMs01602534
Type: Neutral
Formula: C7H3ClF3NO3S
SMILES:   Clc1cc([N+](=O)[O-])c(S(=O)C(F)(F)F)cc1
InChI:   InChI=1/C7H3ClF3NO3S/c8-4-1-2-6(5(3-4)12(13)14)16(15)7(9,10)11/h1-3H/t16-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.9771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.618 g/mol  logS: -4.33852  SlogP: 3.2955  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111791  Sterimol/B1: 2.58247  Sterimol/B2: 3.03632  Sterimol/B3: 3.11085
  Sterimol/B4: 6.24077  Sterimol/L: 11.7497 
 
 Surface and Volume Properties
  Accessible surface: 368.088  Positive charged surface: 90.9265  Negative charged surface: 277.161  Volume: 176
  Hydrophobic surface: 173.912  Hydrophilic surface: 194.176
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.