MMsINC Database Search


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MMsINC code: MMs00281309

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S₂

SMILES:

S(C)c1ccc(S(=O)(=O)N(CC(=O)NCCOC)c2ccc(cc2)C)cc1

InChI:

InChI=1/C19H24N2O4S2/c1-15-4-6-16(7-5-15)21(14-19(22)20-12-13-25-2)27(23,24)18-10-8-17(26-3)9-11-18/h4-11H,12-14H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3142 kcal/mol

Physical Properties
Molecular Weight: 408.543 g/mol	logS: -4.93283	SlogP: 2.67482	Reactive groups: 0

Topological Properties
Globularity: 0.101088	Sterimol/B1: 2.03683	Sterimol/B2: 3.49665	Sterimol/B3: 5.18512
Sterimol/B4: 11.489	Sterimol/L: 18.7496

Surface and Volume Properties
Accessible surface: 699.002	Positive charged surface: 443.621	Negative charged surface: 255.38	Volume: 377.25
Hydrophobic surface: 564.606	Hydrophilic surface: 134.396

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.