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APOLLO-ZINC00158568

 MMsINC code: MMs00044969
Type: Neutral
Formula: C14H10BrNO2S
SMILES:   Brc1cc2c(n(S(=O)(=O)c3ccccc3)cc2)cc1
InChI:   InChI=1/C14H10BrNO2S/c15-12-6-7-14-11(10-12)8-9-16(14)19(17,18)13-4-2-1-3-5-13/h1-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.0312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.209 g/mol  logS: -4.70613  SlogP: 3.6408  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145808  Sterimol/B1: 2.43615  Sterimol/B2: 3.96846  Sterimol/B3: 5.39608
  Sterimol/B4: 6.00036  Sterimol/L: 12.783 
 
 Surface and Volume Properties
  Accessible surface: 479.201  Positive charged surface: 170.294  Negative charged surface: 303.677  Volume: 259.5
  Hydrophobic surface: 407.444  Hydrophilic surface: 71.757
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.