MMsINC Database Search


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MMsINC code: MMs02151015

Type: Neutral
Formula: C₁₅H₁₃NO₂S₃

SMILES:

s1cccc1-c1ccc(cc1)CNS(=O)(=O)c1sccc1

InChI:

InChI=1/C15H13NO2S3/c17-21(18,15-4-2-10-20-15)16-11-12-5-7-13(8-6-12)14-3-1-9-19-14/h1-10,16H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.7282 kcal/mol

Physical Properties
Molecular Weight: 335.472 g/mol	logS: -5.0047	SlogP: 4.2215	Reactive groups: 0

Topological Properties
Globularity: 0.0393102	Sterimol/B1: 3.7937	Sterimol/B2: 3.94245	Sterimol/B3: 4.21021
Sterimol/B4: 4.47913	Sterimol/L: 17.2701

Surface and Volume Properties
Accessible surface: 548.927	Positive charged surface: 223.989	Negative charged surface: 324.938	Volume: 288.25
Hydrophobic surface: 462.156	Hydrophilic surface: 86.771

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.