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MMsINC code: MMs00830871

Type: Neutral
Formula: C₁₈H₁₄N₄O₄

SMILES:

OC(=O)c1ccccc1Nc1nc(ncc1)Nc1ccc(cc1)C(O)=O

InChI:

InChI=1/C18H14N4O4/c23-16(24)11-5-7-12(8-6-11)20-18-19-10-9-15(22-18)21-14-4-2-1-3-13(14)17(25)26/h1-10H,(H,23,24)(H,25,26)(H2,19,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4326 kcal/mol

Physical Properties
Molecular Weight: 350.334 g/mol	logS: -4.38018	SlogP: 3.3602	Reactive groups: 0

Topological Properties
Globularity: 0.0568353	Sterimol/B1: 2.76244	Sterimol/B2: 4.20283	Sterimol/B3: 4.35629
Sterimol/B4: 4.68534	Sterimol/L: 18.8564

Surface and Volume Properties
Accessible surface: 591.427	Positive charged surface: 364.579	Negative charged surface: 226.848	Volume: 310.75
Hydrophobic surface: 346.445	Hydrophilic surface: 244.982

Pharmacophoric Properties
Hydrogen bond donors: 6	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

MMs00830872
CHEMDIV-ZINC00075475