MMsINC Database Search


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MMsINC code: MMs03494903

Type: Neutral
Formula: C₆H₇NO₂S

SMILES:

S(=O)(=O)(C)c1ncccc1

InChI:

InChI=1/C6H7NO2S/c1-10(8,9)6-4-2-3-5-7-6/h2-5H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.2973 kcal/mol

Physical Properties
Molecular Weight: 157.193 g/mol	logS: -0.57869	SlogP: 0.4851	Reactive groups: 0

Topological Properties
Globularity: 0.127752	Sterimol/B1: 2.0977	Sterimol/B2: 3.62337	Sterimol/B3: 3.67185
Sterimol/B4: 4.1502	Sterimol/L: 10.3056

Surface and Volume Properties
Accessible surface: 319.446	Positive charged surface: 173.752	Negative charged surface: 145.694	Volume: 135.375
Hydrophobic surface: 235.012	Hydrophilic surface: 84.434

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.