MMsINC Database Search


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MMsINC code: MMs02949486

Type: Neutral
Formula: C₁₄H₁₅NO₂S₃

SMILES:

S(C)c1cc(NS(=O)(=O)c2ccc(SC)cc2)ccc1

InChI:

InChI=1/C14H15NO2S3/c1-18-12-6-8-14(9-7-12)20(16,17)15-11-4-3-5-13(10-11)19-2/h3-10,15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.0817 kcal/mol

Physical Properties
Molecular Weight: 325.477 g/mol	logS: -5.08952	SlogP: 3.9312	Reactive groups: 0

Topological Properties
Globularity: 0.167145	Sterimol/B1: 2.398	Sterimol/B2: 3.80629	Sterimol/B3: 4.47051
Sterimol/B4: 9.0653	Sterimol/L: 13.4294

Surface and Volume Properties
Accessible surface: 536.843	Positive charged surface: 249.171	Negative charged surface: 287.673	Volume: 286.5
Hydrophobic surface: 370.05	Hydrophilic surface: 166.793

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.