MMsINC Database Search


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MMsINC code: MMs01626336

Type: Neutral
Formula: C₁₉H₂₃NO₇S

SMILES:

S(=O)(=O)(Nc1c(OC)c(OC)c(OC)cc1C(OC)=O)c1cc(ccc1C)C

InChI:

InChI=1/C19H23NO7S/c1-11-7-8-12(2)15(9-11)28(22,23)20-16-13(19(21)27-6)10-14(24-3)17(25-4)18(16)26-5/h7-10,20H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.947 kcal/mol

Physical Properties
Molecular Weight: 409.459 g/mol	logS: -4.21398	SlogP: 2.91664	Reactive groups: 0

Topological Properties
Globularity: 0.167276	Sterimol/B1: 2.49669	Sterimol/B2: 4.20203	Sterimol/B3: 6.4425
Sterimol/B4: 7.0392	Sterimol/L: 14.6376

Surface and Volume Properties
Accessible surface: 600.02	Positive charged surface: 443.506	Negative charged surface: 156.514	Volume: 366.25
Hydrophobic surface: 500.246	Hydrophilic surface: 99.774

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.