MMsINC Database Search


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MMsINC code: MMs01744283

Type: Neutral
Formula: C₁₉H₁₉NO₄

SMILES:

O(C)c1cc(OC)ccc1-c1ncc2cc(OC)c(OC)cc2c1

InChI:

InChI=1/C19H19NO4/c1-21-14-5-6-15(17(10-14)22-2)16-7-12-8-18(23-3)19(24-4)9-13(12)11-20-16/h5-11H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.921 kcal/mol

Physical Properties
Molecular Weight: 325.364 g/mol	logS: -4.60132	SlogP: 3.9362	Reactive groups: 0

Topological Properties
Globularity: 0.00829007	Sterimol/B1: 2.37559	Sterimol/B2: 2.37608	Sterimol/B3: 3.61365
Sterimol/B4: 7.95936	Sterimol/L: 17.723

Surface and Volume Properties
Accessible surface: 592.931	Positive charged surface: 468.957	Negative charged surface: 107.367	Volume: 314.625
Hydrophobic surface: 553.668	Hydrophilic surface: 39.263

Pharmacophoric Properties
Hydrogen bond donors: 0	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.