MMsINC Database Search


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

MMsINC code: MMs03224458

Type: Neutral
Formula: C₈H₁₀OS

SMILES:

S(=O)(Cc1ccccc1)C

InChI:

InChI=1/C8H10OS/c1-10(9)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.6289 kcal/mol

Physical Properties
Molecular Weight: 154.233 g/mol	logS: -1.61909	SlogP: 1.8315	Reactive groups: 0

Topological Properties
Globularity: 0.0669579	Sterimol/B1: 2.93483	Sterimol/B2: 3.08894	Sterimol/B3: 3.58181
Sterimol/B4: 3.72978	Sterimol/L: 11.5486

Surface and Volume Properties
Accessible surface: 347.6	Positive charged surface: 207.425	Negative charged surface: 140.175	Volume: 153
Hydrophobic surface: 317.392	Hydrophilic surface: 30.208

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.