MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02935643

Type: Neutral
Formula: C₁₄H₁₅NO₂S₂

SMILES:

S(CCNS(=O)(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C14H15NO2S2/c16-19(17,14-9-5-2-6-10-14)15-11-12-18-13-7-3-1-4-8-13/h1-10,15H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.0973 kcal/mol

Physical Properties
Molecular Weight: 293.411 g/mol	logS: -4.0386	SlogP: 2.7572	Reactive groups: 0

Topological Properties
Globularity: 0.0572154	Sterimol/B1: 3.28224	Sterimol/B2: 4.28793	Sterimol/B3: 4.64726
Sterimol/B4: 4.87534	Sterimol/L: 16.1732

Surface and Volume Properties
Accessible surface: 529.031	Positive charged surface: 261.324	Negative charged surface: 267.707	Volume: 267.5
Hydrophobic surface: 411.15	Hydrophilic surface: 117.881

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.