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MMsINC code: MMs02166773

Type: Ionized
Formula: C₁₉H₁₃N₄O₅-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.5297 kcal/mol

Physical Properties
Molecular Weight: 377.336 g/mol	logS: -2.98232	SlogP: 1.0503	Reactive groups: 0

Topological Properties
Globularity: 0.00558068	Sterimol/B1: 2.71744	Sterimol/B2: 2.88855	Sterimol/B3: 3.2319
Sterimol/B4: 5.74852	Sterimol/L: 20.9196

Surface and Volume Properties
Accessible surface: 604.652	Positive charged surface: 336.006	Negative charged surface: 268.646	Volume: 325.875
Hydrophobic surface: 396.601	Hydrophilic surface: 208.051

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 2	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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Parent related molecule:

MMs02166772
MAYBRIDGE-ZINC04324662