MMsINC Database Search


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MMsINC code: MMs00170998

Type: Neutral
Formula: C₁₈H₂₀N₂O₅S

SMILES:

S(=O)(=O)(N1CCOCC1)c1ccc(NC(=O)c2ccccc2OC)cc1

InChI:

InChI=1/C18H20N2O5S/c1-24-17-5-3-2-4-16(17)18(21)19-14-6-8-15(9-7-14)26(22,23)20-10-12-25-13-11-20/h2-9H,10-13H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.681 kcal/mol

Physical Properties
Molecular Weight: 376.433 g/mol	logS: -3.61029	SlogP: 1.9684	Reactive groups: 0

Topological Properties
Globularity: 0.0350371	Sterimol/B1: 2.47757	Sterimol/B2: 3.89061	Sterimol/B3: 3.90749
Sterimol/B4: 7.3194	Sterimol/L: 18.1185

Surface and Volume Properties
Accessible surface: 613.615	Positive charged surface: 413.846	Negative charged surface: 199.769	Volume: 336.875
Hydrophobic surface: 510.862	Hydrophilic surface: 102.753

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.