MMsINC Database Search


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MMsINC code: MMs02223855

Type: Neutral
Formula: C₁₀H₁₀N₂O₂S

SMILES:

S(=O)(=O)(n1cccc1)c1ccc(N)cc1

InChI:

InChI=1/C10H10N2O2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h1-8H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0856 kcal/mol

Physical Properties
Molecular Weight: 222.268 g/mol	logS: -1.48994	SlogP: 1.3073	Reactive groups: 0

Topological Properties
Globularity: 0.141463	Sterimol/B1: 2.12584	Sterimol/B2: 2.91778	Sterimol/B3: 4.32966
Sterimol/B4: 5.20724	Sterimol/L: 11.9269

Surface and Volume Properties
Accessible surface: 409.06	Positive charged surface: 200.703	Negative charged surface: 208.357	Volume: 197.875
Hydrophobic surface: 259.854	Hydrophilic surface: 149.206

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.