MMsINC Database Search


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

MMsINC code: MMs02658902

Type: Neutral
Formula: C₁₅H₁₂O₂S

SMILES:

S(=O)(=O)(C=1Cc2c(C=1)cccc2)c1ccccc1

InChI:

InChI=1/C15H12O2S/c16-18(17,14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-15/h1-10H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.994 kcal/mol

Physical Properties
Molecular Weight: 256.325 g/mol	logS: -4.04871	SlogP: 3.05747	Reactive groups: 0

Topological Properties
Globularity: 0.122766	Sterimol/B1: 2.47762	Sterimol/B2: 3.51007	Sterimol/B3: 4.83374
Sterimol/B4: 5.87746	Sterimol/L: 13.6404

Surface and Volume Properties
Accessible surface: 464.384	Positive charged surface: 231.428	Negative charged surface: 232.955	Volume: 238.875
Hydrophobic surface: 407.586	Hydrophilic surface: 56.798

Pharmacophoric Properties
Hydrogen bond donors: 0	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.