MMsINC Database Search


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

MMsINC code: MMs02644557

Type: Neutral
Formula: C₁₄H₉NO₄S

SMILES:

S1(=O)(=O)N(C(=O)c2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C14H9NO4S/c16-13(10-6-2-1-3-7-10)15-14(17)11-8-4-5-9-12(11)20(15,18)19/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.716 kcal/mol

Physical Properties
Molecular Weight: 287.295 g/mol	logS: -3.98168	SlogP: 1.6715	Reactive groups: 0

Topological Properties
Globularity: 0.0103571	Sterimol/B1: 2.87267	Sterimol/B2: 3.13886	Sterimol/B3: 3.2574
Sterimol/B4: 5.50836	Sterimol/L: 14.5407

Surface and Volume Properties
Accessible surface: 455.8	Positive charged surface: 202.918	Negative charged surface: 252.882	Volume: 235.625
Hydrophobic surface: 326.339	Hydrophilic surface: 129.461

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.