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MMsINC code: MMs01400407

Type: Neutral
Formula: C₁₅H₁₆N₂O₄S₂

SMILES:

S(=O)(=O)(N)c1ccc(cc1)CNS(=O)(=O)\C=C\c1ccccc1

InChI:

InChI=1/C15H16N2O4S2/c16-23(20,21)15-8-6-14(7-9-15)12-17-22(18,19)11-10-13-4-2-1-3-5-13/h1-11,17H,12H2,(H2,16,20,21)/b11-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.20867 kcal/mol

Physical Properties
Molecular Weight: 352.435 g/mol	logS: -3.43398	SlogP: 1.6907	Reactive groups: 0

Topological Properties
Globularity: 0.0490426	Sterimol/B1: 2.21477	Sterimol/B2: 3.20815	Sterimol/B3: 4.01446
Sterimol/B4: 6.61726	Sterimol/L: 18.305

Surface and Volume Properties
Accessible surface: 595.121	Positive charged surface: 282.201	Negative charged surface: 312.92	Volume: 300.25
Hydrophobic surface: 372.867	Hydrophilic surface: 222.254

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01400408
ENAMINE-ZINC03368769