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MMsINC code: MMs03336390

Type: Neutral
Formula: C₁₈H₁₃N₃O₅

SMILES:

OC=1N(c2ccccc2)C(=O)NC(=O)C=1\C=N\c1cc(ccc1)C(O)=O

InChI:

InChI=1/C18H13N3O5/c22-15-14(10-19-12-6-4-5-11(9-12)17(24)25)16(23)21(18(26)20-15)13-7-2-1-3-8-13/h1-10,23H,(H,24,25)(H,20,22,26)/b19-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.7232 kcal/mol

Physical Properties
Molecular Weight: 351.318 g/mol	logS: -4.02438	SlogP: 2.6131	Reactive groups: 0

Topological Properties
Globularity: 0.0519726	Sterimol/B1: 3.22357	Sterimol/B2: 3.48592	Sterimol/B3: 4.07318
Sterimol/B4: 6.13035	Sterimol/L: 18.6291

Surface and Volume Properties
Accessible surface: 589.508	Positive charged surface: 331.781	Negative charged surface: 257.727	Volume: 306.625
Hydrophobic surface: 338.145	Hydrophilic surface: 251.363

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs03336391
PUBCHEM-ZINC05650180