MMsINC Database Search


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MMsINC code: MMs03561921

Type: Neutral
Formula: C₉H₁₀N₂O₂S₂

SMILES:

S\1c2c(N(C)/C/1=N\S(=O)(=O)C)cccc2

InChI:

InChI=1/C9H10N2O2S2/c1-11-7-5-3-4-6-8(7)14-9(11)10-15(2,12)13/h3-6H,1-2H3/b10-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.966 kcal/mol

Physical Properties
Molecular Weight: 242.323 g/mol	logS: -2.42933	SlogP: 1.5441	Reactive groups: 0

Topological Properties
Globularity: 0.0262416	Sterimol/B1: 2.27518	Sterimol/B2: 2.60675	Sterimol/B3: 3.40533
Sterimol/B4: 5.95187	Sterimol/L: 13.5556

Surface and Volume Properties
Accessible surface: 403.07	Positive charged surface: 206.328	Negative charged surface: 196.741	Volume: 198
Hydrophobic surface: 286.824	Hydrophilic surface: 116.246

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.