MMsINC Database Search


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

MMsINC code: MMs02824187

Type: Neutral
Formula: C₁₂H₁₂N₂O₂S

SMILES:

S(=O)(=O)(N(c1ccccc1)c1ccccc1)N

InChI:

InChI=1/C12H12N2O2S/c13-17(15,16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,13,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.2639 kcal/mol

Physical Properties
Molecular Weight: 248.306 g/mol	logS: -3.20822	SlogP: 2.0282	Reactive groups: 0

Topological Properties
Globularity: 0.160875	Sterimol/B1: 3.10513	Sterimol/B2: 3.46551	Sterimol/B3: 3.83016
Sterimol/B4: 6.73683	Sterimol/L: 12.1719

Surface and Volume Properties
Accessible surface: 429.44	Positive charged surface: 229	Negative charged surface: 200.44	Volume: 221.75
Hydrophobic surface: 316.953	Hydrophilic surface: 112.487

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.