MMsINC Database Search


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MMsINC code: MMs02704048

Type: Neutral
Formula: C₁₈H₁₅NO₂S₂

SMILES:

S(c1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C18H15NO2S2/c20-23(21,16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)22-15-9-3-1-4-10-15/h1-14,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5469 kcal/mol

Physical Properties
Molecular Weight: 341.455 g/mol	logS: -5.89198	SlogP: 4.6386	Reactive groups: 0

Topological Properties
Globularity: 0.171241	Sterimol/B1: 3.83488	Sterimol/B2: 3.92243	Sterimol/B3: 5.18031
Sterimol/B4: 6.00174	Sterimol/L: 14.0544

Surface and Volume Properties
Accessible surface: 550.926	Positive charged surface: 273.737	Negative charged surface: 277.189	Volume: 310.25
Hydrophobic surface: 452.397	Hydrophilic surface: 98.529

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.