MMsINC Database Search


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

MMsINC code: MMs01663920

Type: Neutral
Formula: C₁₅H₁₄N₂O₂S

SMILES:

S(=O)(=O)(C)c1nc2c(n1Cc1ccccc1)cccc2

InChI:

InChI=1/C15H14N2O2S/c1-20(18,19)15-16-13-9-5-6-10-14(13)17(15)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3078 kcal/mol

Physical Properties
Molecular Weight: 286.355 g/mol	logS: -4.20892	SlogP: 2.7545	Reactive groups: 0

Topological Properties
Globularity: 0.157736	Sterimol/B1: 2.38495	Sterimol/B2: 3.37112	Sterimol/B3: 4.67667
Sterimol/B4: 7.9676	Sterimol/L: 12.6204

Surface and Volume Properties
Accessible surface: 468.075	Positive charged surface: 238.503	Negative charged surface: 229.573	Volume: 262.375
Hydrophobic surface: 376.809	Hydrophilic surface: 91.266

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.