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MMsINC code: MMs02711885

Type: Ionized
Formula: C₁₅H₁₅N₂O₃S₂-

SMILES:

S(CC)c1ccccc1C(=O)Nc1ccc(S(=O)([O-])=[NH])cc1

InChI:

InChI=1/C15H16N2O3S2/c1-2-21-14-6-4-3-5-13(14)15(18)17-11-7-9-12(10-8-11)22(16,19)20/h3-10H,2H2,1H3,(H3,16,17,18,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.8486 kcal/mol

Physical Properties
Molecular Weight: 335.428 g/mol	logS: -4.95448	SlogP: 3.0225	Reactive groups: 0

Topological Properties
Globularity: 0.0814141	Sterimol/B1: 2.18884	Sterimol/B2: 2.66643	Sterimol/B3: 4.25647
Sterimol/B4: 8.34062	Sterimol/L: 16.201

Surface and Volume Properties
Accessible surface: 549.831	Positive charged surface: 263.49	Negative charged surface: 286.34	Volume: 296.375
Hydrophobic surface: 373.052	Hydrophilic surface: 176.779

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 3	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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Parent related molecule:

MMs02711884
PUBCHEM-ZINC00609289