MMsINC Database Search


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MMsINC code: MMs01340960

Type: Neutral
Formula: C₁₄H₁₂N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccc(OC)cc1)c1cc2nc(S)oc2cc1

InChI:

InChI=1/C14H12N2O4S2/c1-19-10-4-2-9(3-5-10)16-22(17,18)11-6-7-13-12(8-11)15-14(21)20-13/h2-8,16H,1H3,(H,15,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.424 kcal/mol

Physical Properties
Molecular Weight: 336.392 g/mol	logS: -5.34683	SlogP: 2.9259	Reactive groups: 0

Topological Properties
Globularity: 0.153472	Sterimol/B1: 2.57087	Sterimol/B2: 3.36234	Sterimol/B3: 4.65078
Sterimol/B4: 7.5662	Sterimol/L: 15.5987

Surface and Volume Properties
Accessible surface: 532.231	Positive charged surface: 289.617	Negative charged surface: 242.614	Volume: 279.5
Hydrophobic surface: 325.932	Hydrophilic surface: 206.299

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.