MMsINC Database Search


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MMsINC code: MMs00061916

Type: Neutral
Formula: C₁₇H₁₆N₂O₄S

SMILES:

S1(=O)(=O)N(CC(=O)NC(C)c2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C17H16N2O4S/c1-12(13-7-3-2-4-8-13)18-16(20)11-19-17(21)14-9-5-6-10-15(14)24(19,22)23/h2-10,12H,11H2,1H3,(H,18,20)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.3685 kcal/mol

Physical Properties
Molecular Weight: 344.391 g/mol	logS: -4.09415	SlogP: 1.804	Reactive groups: 0

Topological Properties
Globularity: 0.066594	Sterimol/B1: 1.969	Sterimol/B2: 3.30018	Sterimol/B3: 4.29293
Sterimol/B4: 6.58011	Sterimol/L: 17.9757

Surface and Volume Properties
Accessible surface: 576.661	Positive charged surface: 295.07	Negative charged surface: 281.59	Volume: 301.125
Hydrophobic surface: 423.984	Hydrophilic surface: 152.677

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.