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MMsINC code: MMs03678205

Type: Ionized
Formula: C₁₅H₁₀N₂O₅-2

SMILES:

O=C(NC(C(=O)[O-])c1ccccc1)c1ncccc1C(=O)[O-]

InChI:

InChI=1/C15H12N2O5/c18-13(12-10(14(19)20)7-4-8-16-12)17-11(15(21)22)9-5-2-1-3-6-9/h1-8,11H,(H,17,18)(H,19,20)(H,21,22)/p-2/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3542 kcal/mol

Physical Properties
Molecular Weight: 298.254 g/mol	logS: -2.67983	SlogP: -1.2384	Reactive groups: 0

Topological Properties
Globularity: 0.18434	Sterimol/B1: 2.80413	Sterimol/B2: 4.10186	Sterimol/B3: 5.9047
Sterimol/B4: 5.95612	Sterimol/L: 12.9768

Surface and Volume Properties
Accessible surface: 505.156	Positive charged surface: 240.482	Negative charged surface: 264.673	Volume: 260.75
Hydrophobic surface: 306.48	Hydrophilic surface: 198.676

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 4	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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Parent related molecule:

MMs03678204
PUBCHEM-ZINC06344643