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MMsINC code: MMs00294736

Type: Neutral
Formula: C₁₈H₁₄N₂O₅

SMILES:

O=C1N(CC(=O)Nc2ccccc2C(OC)=O)C(=O)c2c1cccc2

InChI:

InChI=1/C18H14N2O5/c1-25-18(24)13-8-4-5-9-14(13)19-15(21)10-20-16(22)11-6-2-3-7-12(11)17(20)23/h2-9H,10H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8982 kcal/mol

Physical Properties
Molecular Weight: 338.319 g/mol	logS: -4.31289	SlogP: 1.7079	Reactive groups: 0

Topological Properties
Globularity: 0.0585146	Sterimol/B1: 2.13657	Sterimol/B2: 3.49399	Sterimol/B3: 4.30826
Sterimol/B4: 8.224	Sterimol/L: 17.1825

Surface and Volume Properties
Accessible surface: 578.131	Positive charged surface: 349.227	Negative charged surface: 228.904	Volume: 302.875
Hydrophobic surface: 436.836	Hydrophilic surface: 141.295

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.