MMsINC Database Search


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

MMsINC code: MMs02221254

Type: Neutral
Formula: C₉H₈S

SMILES:

S1Cc2c(C=C1)cccc2

InChI:

InChI=1/C9H8S/c1-2-4-9-7-10-6-5-8(9)3-1/h1-6H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.7128 kcal/mol

Physical Properties
Molecular Weight: 148.229 g/mol	logS: -2.74529	SlogP: 3.1705	Reactive groups: 0

Topological Properties
Globularity: 0.0362903	Sterimol/B1: 2.69783	Sterimol/B2: 3.01216	Sterimol/B3: 3.70849
Sterimol/B4: 4.4718	Sterimol/L: 9.91345

Surface and Volume Properties
Accessible surface: 325.644	Positive charged surface: 165.757	Negative charged surface: 159.887	Volume: 148
Hydrophobic surface: 270.44	Hydrophilic surface: 55.204

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