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MMsINC code: MMs02991263

Type: Neutral
Formula: C₁₆H₁₄N₄O₄

SMILES:

OC(=O)c1ccc(cc1)\C=N\NC(=O)C(=O)NCc1cccnc1

InChI:

InChI=1/C16H14N4O4/c21-14(18-9-12-2-1-7-17-8-12)15(22)20-19-10-11-3-5-13(6-4-11)16(23)24/h1-8,10H,9H2,(H,18,21)(H,20,22)(H,23,24)/b19-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3274 kcal/mol

Physical Properties
Molecular Weight: 326.312 g/mol	logS: -2.42198	SlogP: 0.8127	Reactive groups: 0

Topological Properties
Globularity: 0.0177397	Sterimol/B1: 2.55721	Sterimol/B2: 2.98797	Sterimol/B3: 4.67602
Sterimol/B4: 5.55245	Sterimol/L: 20.4162

Surface and Volume Properties
Accessible surface: 595.456	Positive charged surface: 370.933	Negative charged surface: 224.523	Volume: 293.625
Hydrophobic surface: 343.681	Hydrophilic surface: 251.775

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

MMs02991264
PUBCHEM-ZINC03082235