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MMsINC code: MMs00429093

Type: Neutral
Formula: C₂₀H₁₉N₃O₅

SMILES:

O=C1N(C)C(=O)N(c2c1cccc2)CC(=O)Nc1ccccc1C(OCC)=O

InChI:

InChI=1/C20H19N3O5/c1-3-28-19(26)13-8-4-6-10-15(13)21-17(24)12-23-16-11-7-5-9-14(16)18(25)22(2)20(23)27/h4-11H,3,12H2,1-2H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.3185 kcal/mol

Physical Properties
Molecular Weight: 381.388 g/mol	logS: -4.43129	SlogP: 2.514	Reactive groups: 0

Topological Properties
Globularity: 0.0844323	Sterimol/B1: 3.42521	Sterimol/B2: 3.61227	Sterimol/B3: 4.26467
Sterimol/B4: 7.7041	Sterimol/L: 17.0513

Surface and Volume Properties
Accessible surface: 644.412	Positive charged surface: 416.234	Negative charged surface: 228.178	Volume: 346
Hydrophobic surface: 496.117	Hydrophilic surface: 148.295

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.