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PUBCHEM-ZINC04838756

 MMsINC code: MMs03177856
Type: Neutral
Formula: C11H15N3O3S
SMILES:   S(=O)(=O)(N)c1ccc(NC(=O)N2CCCC2)cc1
InChI:   InChI=1/C11H15N3O3S/c12-18(16,17)10-5-3-9(4-6-10)13-11(15)14-7-1-2-8-14/h3-6H,1-2,7-8H2,(H,13,15)(H2,12,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.26207 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.325 g/mol  logS: -2.10119  SlogP: 0.9617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431789  Sterimol/B1: 2.7365  Sterimol/B2: 3.18314  Sterimol/B3: 3.2747
  Sterimol/B4: 4.71607  Sterimol/L: 15.4277 
 
 Surface and Volume Properties
  Accessible surface: 478.707  Positive charged surface: 306.179  Negative charged surface: 172.527  Volume: 233.75
  Hydrophobic surface: 309.013  Hydrophilic surface: 169.694
 
 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


MMs03177857
PUBCHEM-ZINC04838756