MMsINC Database Search


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MMsINC code: MMs01373337

Type: Neutral
Formula: C₁₈H₁₈N₂O₆

SMILES:

O1CCOc2c1cc(cc2)C(=O)NNC(=O)c1cc(OC)cc(OC)c1

InChI:

InChI=1/C18H18N2O6/c1-23-13-7-12(8-14(10-13)24-2)18(22)20-19-17(21)11-3-4-15-16(9-11)26-6-5-25-15/h3-4,7-10H,5-6H2,1-2H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.6 kcal/mol

Physical Properties
Molecular Weight: 358.35 g/mol	logS: -3.93376	SlogP: 1.5498	Reactive groups: 0

Topological Properties
Globularity: 0.0055971	Sterimol/B1: 2.56319	Sterimol/B2: 2.886	Sterimol/B3: 2.95591
Sterimol/B4: 6.98499	Sterimol/L: 20.3828

Surface and Volume Properties
Accessible surface: 616.793	Positive charged surface: 432.252	Negative charged surface: 184.542	Volume: 322.25
Hydrophobic surface: 478.766	Hydrophilic surface: 138.027

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.