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NCID-ZINC01633628

 MMsINC code: MMs02277834
Type: Neutral
Formula: C19H24N2O7S2
SMILES:   S(=O)(=O)(N(C)C)c1cc(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2OC)c(OC)cc
1
InChI:   InChI=1/C19H24N2O7S2/c1-20(2)29(23,24)13-7-9-17(27-5)15(11-13)19(22)16-12-14(8-10-18(16)28-6)30(25,26)21(3)4/h7-12H,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.2021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.54 g/mol  logS: -3.38557  SlogP: 1.4354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238452  Sterimol/B1: 2.51039  Sterimol/B2: 4.3852  Sterimol/B3: 6.01649
  Sterimol/B4: 10.2749  Sterimol/L: 15.242 
 
 Surface and Volume Properties
  Accessible surface: 690.716  Positive charged surface: 507.422  Negative charged surface: 183.294  Volume: 397.75
  Hydrophobic surface: 547.267  Hydrophilic surface: 143.449
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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: 0
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Ions/Tautomers related molecules: no related molecules available.