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MMsINC code: MMs02360607

Type: Neutral
Formula: C₁₅H₁₀N₆O₄

SMILES:

O=C1N(Cc2nc3N=C(NC(=O)c3nc12)N)c1ccc(cc1)C(O)=O

InChI:

InChI=1/C15H10N6O4/c16-15-19-11-10(12(22)20-15)18-9-8(17-11)5-21(13(9)23)7-3-1-6(2-4-7)14(24)25/h1-4H,5H2,(H,24,25)(H3,16,17,19,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.7852 kcal/mol

Physical Properties
Molecular Weight: 338.283 g/mol	logS: -2.3482	SlogP: 0.2912	Reactive groups: 0

Topological Properties
Globularity: 0.00210118	Sterimol/B1: 2.37767	Sterimol/B2: 2.37944	Sterimol/B3: 3.21979
Sterimol/B4: 4.85765	Sterimol/L: 18.8054

Surface and Volume Properties
Accessible surface: 530.896	Positive charged surface: 310.573	Negative charged surface: 220.323	Volume: 275.375
Hydrophobic surface: 167.36	Hydrophilic surface: 363.536

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02360608
NCID-ZINC01745457