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PUBCHEM-ZINC01552231

 MMsINC code: MMs02814275
Type: Neutral
Formula: C15H27N3O4S2
SMILES:   S(=O)(=O)(N(C(C)C)CCNC(C)C)c1ccc(NS(=O)(=O)C)cc1
InChI:   InChI=1/C15H27N3O4S2/c1-12(2)16-10-11-18(13(3)4)24(21,22)15-8-6-14(7-9-15)17-23(5,19)20/h6-9,12-13,16-17H,10-11H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.6129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.53 g/mol  logS: -2.2122  SlogP: 1.4552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0652722  Sterimol/B1: 2.36423  Sterimol/B2: 3.44407  Sterimol/B3: 4.36682
  Sterimol/B4: 7.84808  Sterimol/L: 18.2703 
 
 Surface and Volume Properties
  Accessible surface: 625.682  Positive charged surface: 371.993  Negative charged surface: 253.689  Volume: 346.5
  Hydrophobic surface: 389.667  Hydrophilic surface: 236.015
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs02814276
PUBCHEM-ZINC01552231