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MMsINC code: MMs03033303

Type: Neutral
Formula: C₁₉H₂₄N₂O₄

SMILES:

O(CC(O)CNCCc1ccc(O)cc1)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C19H24N2O4/c1-14(22)21-16-4-8-19(9-5-16)25-13-18(24)12-20-11-10-15-2-6-17(23)7-3-15/h2-9,18,20,23-24H,10-13H2,1H3,(H,21,22)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4163 kcal/mol

Physical Properties
Molecular Weight: 344.411 g/mol	logS: -2.67653	SlogP: 1.92257	Reactive groups: 0

Topological Properties
Globularity: 0.0241446	Sterimol/B1: 2.73333	Sterimol/B2: 3.38294	Sterimol/B3: 3.94284
Sterimol/B4: 5.33115	Sterimol/L: 23.5077

Surface and Volume Properties
Accessible surface: 670.207	Positive charged surface: 441.625	Negative charged surface: 228.581	Volume: 339.5
Hydrophobic surface: 502.336	Hydrophilic surface: 167.871

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs03033304
PUBCHEM-ZINC03647822