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MMsINC code: MMs00840316

Type: Neutral
Formula: C₁₈H₁₈N₂O₅

SMILES:

O(CC(O)=O)c1ccc(NC(=O)c2ccc(NC(=O)CC)cc2)cc1

InChI:

InChI=1/C18H18N2O5/c1-2-16(21)19-13-5-3-12(4-6-13)18(24)20-14-7-9-15(10-8-14)25-11-17(22)23/h3-10H,2,11H2,1H3,(H,19,21)(H,20,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4674 kcal/mol

Physical Properties
Molecular Weight: 342.351 g/mol	logS: -3.81231	SlogP: 2.7508	Reactive groups: 0

Topological Properties
Globularity: 0.0082827	Sterimol/B1: 2.18313	Sterimol/B2: 2.51877	Sterimol/B3: 2.82197
Sterimol/B4: 6.34553	Sterimol/L: 22.3906

Surface and Volume Properties
Accessible surface: 624.7	Positive charged surface: 376.532	Negative charged surface: 248.167	Volume: 315.375
Hydrophobic surface: 410.363	Hydrophilic surface: 214.337

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

MMs00840317
CHEMDIV-ZINC00210775