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IFLAB-ZINC00151759

 MMsINC code: MMs01976553
Type: Neutral
Formula: C11H16N2O2S
SMILES:   S(=O)(=O)(N)c1ccc(N2CCCCC2)cc1
InChI:   InChI=1/C11H16N2O2S/c12-16(14,15)11-6-4-10(5-7-11)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H2,12,14,15)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.4803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.327 g/mol  logS: -2.29305  SlogP: 1.3243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0562497  Sterimol/B1: 2.39094  Sterimol/B2: 2.75251  Sterimol/B3: 3.66555
  Sterimol/B4: 4.93278  Sterimol/L: 14.1839 
 
 Surface and Volume Properties
  Accessible surface: 438.896  Positive charged surface: 281.084  Negative charged surface: 157.813  Volume: 221.25
  Hydrophobic surface: 294.821  Hydrophilic surface: 144.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01976554
IFLAB-ZINC00151759