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PUBCHEM-ZINC02165013

 MMsINC code: MMs02878560
Type: Neutral
Formula: C11H16N2O4S
SMILES:   S(O)(=O)(=O)c1cc(NC(=O)NCCCC)ccc1
InChI:   InChI=1/C11H16N2O4S/c1-2-3-7-12-11(14)13-9-5-4-6-10(8-9)18(15,16)17/h4-6,8H,2-3,7H2,1H3,(H2,12,13,14)(H,15,16,17)

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Potential Energy
Epot(MMFF94)=8.04381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.325 g/mol  logS: -2.52246  SlogP: 1.2892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0211219  Sterimol/B1: 2.74088  Sterimol/B2: 3.00575  Sterimol/B3: 3.56656
  Sterimol/B4: 5.23196  Sterimol/L: 17.3295 
 
 Surface and Volume Properties
  Accessible surface: 508.356  Positive charged surface: 306.449  Negative charged surface: 201.906  Volume: 238.125
  Hydrophobic surface: 297.136  Hydrophilic surface: 211.22
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  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


MMs02878561
PUBCHEM-ZINC02165013