MMsINC Database Search


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MMsINC code: MMs00444847

Type: Neutral
Formula: C₁₄H₁₆N₂O₄S₂

SMILES:

s1cc(S(=O)(=O)N(C)c2ccc(OC)cc2)cc1C(=O)NC

InChI:

InChI=1/C14H16N2O4S2/c1-15-14(17)13-8-12(9-21-13)22(18,19)16(2)10-4-6-11(20-3)7-5-10/h4-9H,1-3H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.297 kcal/mol

Physical Properties
Molecular Weight: 340.424 g/mol	logS: -3.12548	SlogP: 1.9414	Reactive groups: 0

Topological Properties
Globularity: 0.0437644	Sterimol/B1: 2.73862	Sterimol/B2: 3.09768	Sterimol/B3: 4.42287
Sterimol/B4: 7.73866	Sterimol/L: 15.9132

Surface and Volume Properties
Accessible surface: 550.126	Positive charged surface: 338.868	Negative charged surface: 211.257	Volume: 295.625
Hydrophobic surface: 429.578	Hydrophilic surface: 120.548

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.