MMsINC Database Search


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MMsINC code: MMs02610432

Type: Neutral
Formula: C₂₀H₁₈N₂O₄

SMILES:

O(c1cc(OC)ccc1C(=O)C)c1ncc(cn1)-c1ccc(OC)cc1

InChI:

InChI=1/C20H18N2O4/c1-13(23)18-9-8-17(25-3)10-19(18)26-20-21-11-15(12-22-20)14-4-6-16(24-2)7-5-14/h4-12H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.341 kcal/mol

Physical Properties
Molecular Weight: 350.374 g/mol	logS: -5.5116	SlogP: 4.1557	Reactive groups: 0

Topological Properties
Globularity: 0.064151	Sterimol/B1: 2.41379	Sterimol/B2: 2.67005	Sterimol/B3: 5.23519
Sterimol/B4: 8.75566	Sterimol/L: 19.0979

Surface and Volume Properties
Accessible surface: 612.147	Positive charged surface: 416.235	Negative charged surface: 183.947	Volume: 330.625
Hydrophobic surface: 543.196	Hydrophilic surface: 68.951

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.