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MMsINC code: MMs01495041

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

o1nc(C)c(C(=O)Nc2ccc(Oc3ccc(cc3)C)cc2)c1C

InChI:

InChI=1/C19H18N2O3/c1-12-4-8-16(9-5-12)23-17-10-6-15(7-11-17)20-19(22)18-13(2)21-24-14(18)3/h4-11H,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.6526 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -4.88463	SlogP: 4.64446	Reactive groups: 0

Topological Properties
Globularity: 0.0443886	Sterimol/B1: 2.62687	Sterimol/B2: 3.63062	Sterimol/B3: 4.65131
Sterimol/B4: 5.87055	Sterimol/L: 17.5554

Surface and Volume Properties
Accessible surface: 598.276	Positive charged surface: 332.372	Negative charged surface: 265.904	Volume: 313.5
Hydrophobic surface: 537.941	Hydrophilic surface: 60.335

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.