MMsINC Database Search


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MMsINC code: MMs02366746

Type: Neutral
Formula: C₁₅H₁₂N₂O₅

SMILES:

OC(=O)c1ccc(NC(=O)Nc2ccc(cc2)C(O)=O)cc1

InChI:

InChI=1/C15H12N2O5/c18-13(19)9-1-5-11(6-2-9)16-15(22)17-12-7-3-10(4-8-12)14(20)21/h1-8H,(H,18,19)(H,20,21)(H2,16,17,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4401 kcal/mol

Physical Properties
Molecular Weight: 300.27 g/mol	logS: -3.19085	SlogP: 2.727	Reactive groups: 0

Topological Properties
Globularity: 0.0235202	Sterimol/B1: 2.17889	Sterimol/B2: 3.13556	Sterimol/B3: 3.35873
Sterimol/B4: 4.9716	Sterimol/L: 17.5429

Surface and Volume Properties
Accessible surface: 523.973	Positive charged surface: 294.805	Negative charged surface: 229.168	Volume: 262.875
Hydrophobic surface: 273.993	Hydrophilic surface: 249.98

Pharmacophoric Properties
Hydrogen bond donors: 6	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

MMs02366747
NCID-ZINC01759937