MMsINC Database Search


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MMsINC code: MMs02948436

Type: Neutral
Formula: C₁₅H₁₇NO₂S₃

SMILES:

S(CCNS(=O)(=O)c1ccc(SC)cc1)c1ccccc1

InChI:

InChI=1/C15H17NO2S3/c1-19-13-7-9-15(10-8-13)21(17,18)16-11-12-20-14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.9691 kcal/mol

Physical Properties
Molecular Weight: 339.504 g/mol	logS: -5.06	SlogP: 3.4791	Reactive groups: 0

Topological Properties
Globularity: 0.0479263	Sterimol/B1: 2.21414	Sterimol/B2: 3.5441	Sterimol/B3: 4.45916
Sterimol/B4: 8.26755	Sterimol/L: 17.682

Surface and Volume Properties
Accessible surface: 586.234	Positive charged surface: 282.122	Negative charged surface: 304.112	Volume: 304.125
Hydrophobic surface: 425.432	Hydrophilic surface: 160.802

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.