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MMsINC code: MMs01869995

Type: Neutral
Formula: C₁₅H₁₆N₂O₃S₂

SMILES:

s1cc(c2CCCCc12)C(=O)Nc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C15H16N2O3S2/c16-22(19,20)11-7-5-10(6-8-11)17-15(18)13-9-21-14-4-2-1-3-12(13)14/h5-9H,1-4H2,(H,17,18)(H2,16,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.9937 kcal/mol

Physical Properties
Molecular Weight: 336.436 g/mol	logS: -4.32404	SlogP: 2.52654	Reactive groups: 0

Topological Properties
Globularity: 0.0320459	Sterimol/B1: 2.73794	Sterimol/B2: 3.65594	Sterimol/B3: 3.71455
Sterimol/B4: 5.36838	Sterimol/L: 17.0652

Surface and Volume Properties
Accessible surface: 548.028	Positive charged surface: 306.107	Negative charged surface: 241.921	Volume: 286.375
Hydrophobic surface: 387.676	Hydrophilic surface: 160.352

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

MMs01869996
IBS-ZINC02708086