MMsINC Database Search


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MMsINC code: MMs02774287

Type: Neutral
Formula: C₁₉H₁₉NO₄S

SMILES:

S(=O)(=O)(NCc1ccc(OC)cc1)c1c2c(cccc2)c(OC)cc1

InChI:

InChI=1/C19H19NO4S/c1-23-15-9-7-14(8-10-15)13-20-25(21,22)19-12-11-18(24-2)16-5-3-4-6-17(16)19/h3-12,20H,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7773 kcal/mol

Physical Properties
Molecular Weight: 357.43 g/mol	logS: -4.9694	SlogP: 3.6019	Reactive groups: 0

Topological Properties
Globularity: 0.0882686	Sterimol/B1: 3.13262	Sterimol/B2: 4.22045	Sterimol/B3: 5.62406
Sterimol/B4: 5.77609	Sterimol/L: 18.1946

Surface and Volume Properties
Accessible surface: 597.785	Positive charged surface: 376.402	Negative charged surface: 213.005	Volume: 327.75
Hydrophobic surface: 509.868	Hydrophilic surface: 87.917

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.