MMsINC Database Search


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MMsINC code: MMs00187711

Type: Neutral
Formula: C₁₉H₂₂N₂O₆

SMILES:

O(C)c1cc(ccc1OC)CC(=O)NNC(=O)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C19H22N2O6/c1-24-14-7-5-12(9-16(14)26-3)10-18(22)20-21-19(23)13-6-8-15(25-2)17(11-13)27-4/h5-9,11H,10H2,1-4H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.105 kcal/mol

Physical Properties
Molecular Weight: 374.393 g/mol	logS: -3.84639	SlogP: 1.72467	Reactive groups: 0

Topological Properties
Globularity: 0.0692589	Sterimol/B1: 2.59493	Sterimol/B2: 3.43819	Sterimol/B3: 6.12984
Sterimol/B4: 7.0278	Sterimol/L: 19.7488

Surface and Volume Properties
Accessible surface: 676.784	Positive charged surface: 517.104	Negative charged surface: 159.68	Volume: 349.25
Hydrophobic surface: 547.449	Hydrophilic surface: 129.335

Pharmacophoric Properties
Hydrogen bond donors: 2	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.