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CHEMDIV-ZINC00188952

 MMsINC code: MMs00837082
Type: Neutral
Formula: C10H14N2O3S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)C
InChI:   InChI=1/C10H14N2O3S/c1-8(13)12-7-6-9-2-4-10(5-3-9)16(11,14)15/h2-5H,6-7H2,1H3,(H,12,13)(H2,11,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.54945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.299 g/mol  logS: -1.82645  SlogP: 0.01257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0529091  Sterimol/B1: 3.32133  Sterimol/B2: 3.39327  Sterimol/B3: 3.60756
  Sterimol/B4: 3.64792  Sterimol/L: 15.7803 
 
 Surface and Volume Properties
  Accessible surface: 459.916  Positive charged surface: 262.677  Negative charged surface: 197.239  Volume: 216.125
  Hydrophobic surface: 273.32  Hydrophilic surface: 186.596
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00837083
CHEMDIV-ZINC00188952