MMsINC Database Search


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MMsINC code: MMs00444782

Type: Neutral
Formula: C₁₉H₁₈N₂O₄S₂

SMILES:

s1cc(S(=O)(=O)N(C)c2cc(ccc2)C)cc1C(=O)Nc1ccc(O)cc1

InChI:

InChI=1/C19H18N2O4S2/c1-13-4-3-5-15(10-13)21(2)27(24,25)17-11-18(26-12-17)19(23)20-14-6-8-16(22)9-7-14/h3-12,22H,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.4534 kcal/mol

Physical Properties
Molecular Weight: 402.495 g/mol	logS: -5.01093	SlogP: 3.83952	Reactive groups: 0

Topological Properties
Globularity: 0.0652018	Sterimol/B1: 2.27844	Sterimol/B2: 4.04455	Sterimol/B3: 4.90193
Sterimol/B4: 6.47293	Sterimol/L: 20.2103

Surface and Volume Properties
Accessible surface: 639.535	Positive charged surface: 326.899	Negative charged surface: 312.635	Volume: 351
Hydrophobic surface: 490.129	Hydrophilic surface: 149.406

Pharmacophoric Properties
Hydrogen bond donors: 2	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.