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MMsINC code: MMs00858964

Type: Neutral
Formula: C₂₁H₁₂N₂O₅

SMILES:

O=C1N(C(=O)c2c1cc(cc2)C(=O)c1ccc(cc1)C(O)=O)c1ncccc1

InChI:

InChI=1/C21H12N2O5/c24-18(12-4-6-13(7-5-12)21(27)28)14-8-9-15-16(11-14)20(26)23(19(15)25)17-3-1-2-10-22-17/h1-11H,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.605 kcal/mol

Physical Properties
Molecular Weight: 372.336 g/mol	logS: -4.85392	SlogP: 2.8114	Reactive groups: 0

Topological Properties
Globularity: 0.016131	Sterimol/B1: 2.47007	Sterimol/B2: 2.88606	Sterimol/B3: 4.8838
Sterimol/B4: 6.25892	Sterimol/L: 17.9681

Surface and Volume Properties
Accessible surface: 595.389	Positive charged surface: 318.927	Negative charged surface: 276.462	Volume: 324.25
Hydrophobic surface: 372.614	Hydrophilic surface: 222.775

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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

MMs00858965
CHEMDIV-ZINC00853022