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MMsINC code: MMs03481790

Type: Neutral
Formula: C₁₅H₁₀N₄O₄

SMILES:

Oc1[nH]c2c(cc(cc2)C(O)=O)c1N=NC(=O)c1ccncc1

InChI:

InChI=1/C15H10N4O4/c20-13(8-3-5-16-6-4-8)19-18-12-10-7-9(15(22)23)1-2-11(10)17-14(12)21/h1-7,17,21H,(H,22,23)/b19-18+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7706 kcal/mol

Physical Properties
Molecular Weight: 310.269 g/mol	logS: -2.5595	SlogP: 2.8908	Reactive groups: 0

Topological Properties
Globularity: 0.00111564	Sterimol/B1: 2.12718	Sterimol/B2: 2.13432	Sterimol/B3: 4.19268
Sterimol/B4: 5.32801	Sterimol/L: 16.8677

Surface and Volume Properties
Accessible surface: 523.043	Positive charged surface: 300.504	Negative charged surface: 216.453	Volume: 266
Hydrophobic surface: 305.265	Hydrophilic surface: 217.778

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

MMs03481791
PUBCHEM-ZINC05997762