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MMsINC code: MMs02166772

Type: Neutral
Formula: C₁₉H₁₄N₄O₅

SMILES:

Oc1ccccc1C(=O)Nc1ccc(NC(=O)c2nccnc2C(O)=O)cc1

InChI:

InChI=1/C19H14N4O5/c24-14-4-2-1-3-13(14)17(25)22-11-5-7-12(8-6-11)23-18(26)15-16(19(27)28)21-10-9-20-15/h1-10,24H,(H,22,25)(H,23,26)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.876 kcal/mol

Physical Properties
Molecular Weight: 378.344 g/mol	logS: -2.72187	SlogP: 2.385	Reactive groups: 0

Topological Properties
Globularity: 0.0336245	Sterimol/B1: 3.19664	Sterimol/B2: 3.55455	Sterimol/B3: 3.67553
Sterimol/B4: 5.57879	Sterimol/L: 20.495

Surface and Volume Properties
Accessible surface: 619.933	Positive charged surface: 386.644	Negative charged surface: 233.288	Volume: 327.625
Hydrophobic surface: 385.176	Hydrophilic surface: 234.757

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 7	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

MMs02166773
MAYBRIDGE-ZINC04324662