MMsINC Database Search


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MMsINC code: MMs03414174

Type: Neutral
Formula: C₇H₆O₂S

SMILES:

SC(=O)c1ccccc1O

InChI:

InChI=1/C7H6O2S/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.6408 kcal/mol

Physical Properties
Molecular Weight: 154.189 g/mol	logS: -2.37226	SlogP: 1.4622	Reactive groups: 0

Topological Properties
Globularity: 0.00838211	Sterimol/B1: 2.15335	Sterimol/B2: 2.26912	Sterimol/B3: 2.47548
Sterimol/B4: 5.58244	Sterimol/L: 10.3975

Surface and Volume Properties
Accessible surface: 316.45	Positive charged surface: 153.412	Negative charged surface: 163.038	Volume: 136.5
Hydrophobic surface: 189.986	Hydrophilic surface: 126.464

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.