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MMsINC code: MMs00577252

Type: Neutral
Formula: C₁₉H₂₂N₂O₃

SMILES:

O(C)c1cc2CC(NCc2cc1OC)C(=O)NCc1ccccc1

InChI:

InChI=1/C19H22N2O3/c1-23-17-9-14-8-16(20-12-15(14)10-18(17)24-2)19(22)21-11-13-6-4-3-5-7-13/h3-7,9-10,16,20H,8,11-12H2,1-2H3,(H,21,22)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0199 kcal/mol

Physical Properties
Molecular Weight: 326.396 g/mol	logS: -3.35048	SlogP: 2.56727	Reactive groups: 0

Topological Properties
Globularity: 0.0565371	Sterimol/B1: 2.38644	Sterimol/B2: 3.44693	Sterimol/B3: 4.14851
Sterimol/B4: 8.38888	Sterimol/L: 18.0398

Surface and Volume Properties
Accessible surface: 610.353	Positive charged surface: 446.33	Negative charged surface: 164.023	Volume: 322.75
Hydrophobic surface: 516.75	Hydrophilic surface: 93.603

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.