MMsINC Database Search


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MMsINC code: MMs02356840

Type: Neutral
Formula: C₈H₈OS

SMILES:

S1(=O)Cc2c(C1)cccc2

InChI:

InChI=1/C8H8OS/c9-10-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.4252 kcal/mol

Physical Properties
Molecular Weight: 152.217 g/mol	logS: -1.74149	SlogP: 1.9817	Reactive groups: 0

Topological Properties
Globularity: 0.0461852	Sterimol/B1: 2.4279	Sterimol/B2: 2.73719	Sterimol/B3: 3.24496
Sterimol/B4: 4.62656	Sterimol/L: 10.2423

Surface and Volume Properties
Accessible surface: 320.782	Positive charged surface: 198.189	Negative charged surface: 122.593	Volume: 141
Hydrophobic surface: 283.742	Hydrophilic surface: 37.04

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

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Ions/Tautomers related molecules: no related molecules available.