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MMsINC code: MMs02678058

Type: Neutral
Formula: C₁₀H₁₀N₂O₂S

SMILES:

S(=O)(=O)(N)c1c2c(ccc1)c(N)ccc2

InChI:

InChI=1/C10H10N2O2S/c11-9-5-1-4-8-7(9)3-2-6-10(8)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)=34.5628 kcal/mol

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

Topological Properties
Globularity: 0.0566009	Sterimol/B1: 2.55899	Sterimol/B2: 3.11559	Sterimol/B3: 3.28232
Sterimol/B4: 7.48849	Sterimol/L: 11.2457

Surface and Volume Properties
Accessible surface: 386.409	Positive charged surface: 198.689	Negative charged surface: 177.462	Volume: 189.5
Hydrophobic surface: 211.189	Hydrophilic surface: 175.22

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

MMs02678059
PUBCHEM-ZINC00409581