MMsINC Database Search


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MMsINC code: MMs03431592

Type: Neutral
Formula: C₁₂H₁₀N₂OS₂

SMILES:

S1C=Cn2cc(nc12)-c1ccc(S(=O)C)cc1

InChI:

InChI=1/C12H10N2OS2/c1-17(15)10-4-2-9(3-5-10)11-8-14-6-7-16-12(14)13-11/h2-8H,1H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5912 kcal/mol

Physical Properties
Molecular Weight: 262.357 g/mol	logS: -3.78405	SlogP: 2.8214	Reactive groups: 0

Topological Properties
Globularity: 0.0289076	Sterimol/B1: 2.02426	Sterimol/B2: 3.55754	Sterimol/B3: 3.88388
Sterimol/B4: 4.00758	Sterimol/L: 16.0759

Surface and Volume Properties
Accessible surface: 463.733	Positive charged surface: 224.1	Negative charged surface: 239.633	Volume: 230.375
Hydrophobic surface: 363.936	Hydrophilic surface: 99.797

Pharmacophoric Properties
Hydrogen bond donors: 0	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.