MMsINC Database Search


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MMsINC code: MMs02294898

Type: Neutral
Formula: C₁₀H₁₀N₂O₂S

SMILES:

S(=O)(=O)(N)c1cc2c(cc1N)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.2048 kcal/mol

Physical Properties
Molecular Weight: 222.268 g/mol	logS: -3.21025	SlogP: 1.0694	Reactive groups: 0

Topological Properties
Globularity: 0.0427132	Sterimol/B1: 2.78987	Sterimol/B2: 3.46756	Sterimol/B3: 3.75306
Sterimol/B4: 4.63023	Sterimol/L: 12.0756

Surface and Volume Properties
Accessible surface: 395.577	Positive charged surface: 197.547	Negative charged surface: 186.958	Volume: 189.5
Hydrophobic surface: 229.792	Hydrophilic surface: 165.785

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02294899
NCID-ZINC01656383