MMsINC Database Search


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MMsINC code: MMs00578241

Type: Neutral
Formula: C₁₉H₂₃NO₅S

SMILES:

S(=O)(=O)(N1CCOC(C1C)c1ccccc1)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C19H23NO5S/c1-14-19(15-7-5-4-6-8-15)25-12-11-20(14)26(21,22)16-9-10-17(23-2)18(13-16)24-3/h4-10,13-14,19H,11-12H2,1-3H3/t14-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.946 kcal/mol

Physical Properties
Molecular Weight: 377.461 g/mol	logS: -3.78579	SlogP: 2.95	Reactive groups: 0

Topological Properties
Globularity: 0.147799	Sterimol/B1: 3.39232	Sterimol/B2: 3.70517	Sterimol/B3: 5.3195
Sterimol/B4: 7.22468	Sterimol/L: 15.9713

Surface and Volume Properties
Accessible surface: 588.867	Positive charged surface: 400.904	Negative charged surface: 187.963	Volume: 348.875
Hydrophobic surface: 495.709	Hydrophilic surface: 93.158

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.