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NCID-ZINC01748006

 MMsINC code: MMs02361334
Type: Neutral
Formula: C10H14N2O3S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)C(=O)NCCC
InChI:   InChI=1/C10H14N2O3S/c1-2-7-12-10(13)8-3-5-9(6-4-8)16(11,14)15/h3-6H,2,7H2,1H3,(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)=6.6014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.299 g/mol  logS: -2.2866  SlogP: 0.4738  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0309276  Sterimol/B1: 2.98677  Sterimol/B2: 3.09147  Sterimol/B3: 3.11748
  Sterimol/B4: 4.59651  Sterimol/L: 15.3959 
 
 Surface and Volume Properties
  Accessible surface: 455.832  Positive charged surface: 263.454  Negative charged surface: 192.378  Volume: 215.125
  Hydrophobic surface: 259.025  Hydrophilic surface: 196.807
 
 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


MMs02361335
NCID-ZINC01748006