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MMsINC code: MMs03452738

Type: Neutral
Formula: C₁₇H₂₀N₂O₃

SMILES:

O(C)c1cc(ccc1OC)CC(=O)Nc1nc(cc(c1)C)C

InChI:

InChI=1/C17H20N2O3/c1-11-7-12(2)18-16(8-11)19-17(20)10-13-5-6-14(21-3)15(9-13)22-4/h5-9H,10H2,1-4H3,(H,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9231 kcal/mol

Physical Properties
Molecular Weight: 300.358 g/mol	logS: -3.35753	SlogP: 2.89681	Reactive groups: 0

Topological Properties
Globularity: 0.122876	Sterimol/B1: 3.56945	Sterimol/B2: 3.85149	Sterimol/B3: 5.46326
Sterimol/B4: 5.69286	Sterimol/L: 17.2312

Surface and Volume Properties
Accessible surface: 583.961	Positive charged surface: 437.868	Negative charged surface: 146.093	Volume: 300.25
Hydrophobic surface: 514.733	Hydrophilic surface: 69.228

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.