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CHEMBLOCK-ZINC00109330

 MMsINC code: MMs00499082
Type: Neutral
Formula: C10H12N2O3S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)C1CC(=O)NC1
InChI:   InChI=1/C10H12N2O3S/c11-16(14,15)9-3-1-7(2-4-9)8-5-10(13)12-6-8/h1-4,8H,5-6H2,(H,12,13)(H2,11,14,15)/t8-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.0077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.283 g/mol  logS: -1.72441  SlogP: -0.0625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108382  Sterimol/B1: 2.45784  Sterimol/B2: 3.39318  Sterimol/B3: 3.51427
  Sterimol/B4: 4.95503  Sterimol/L: 13.3674 
 
 Surface and Volume Properties
  Accessible surface: 426.545  Positive charged surface: 245.773  Negative charged surface: 180.771  Volume: 203
  Hydrophobic surface: 207.409  Hydrophilic surface: 219.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00499083
CHEMBLOCK-ZINC00109330