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MMsINC code: MMs03148497

Type: Neutral
Formula: C₁₆H₁₄N₂O₄

SMILES:

O(CC(=O)N)c1ccc(cc1)\C=N\c1ccc(cc1)C(O)=O

InChI:

InChI=1/C16H14N2O4/c17-15(19)10-22-14-7-1-11(2-8-14)9-18-13-5-3-12(4-6-13)16(20)21/h1-9H,10H2,(H2,17,19)(H,20,21)/b18-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2345 kcal/mol

Physical Properties
Molecular Weight: 298.298 g/mol	logS: -3.60796	SlogP: 1.9995	Reactive groups: 0

Topological Properties
Globularity: 0.013236	Sterimol/B1: 2.10228	Sterimol/B2: 2.41088	Sterimol/B3: 3.29967
Sterimol/B4: 5.72084	Sterimol/L: 20.0632

Surface and Volume Properties
Accessible surface: 564.429	Positive charged surface: 332.174	Negative charged surface: 232.255	Volume: 274.75
Hydrophobic surface: 331.171	Hydrophilic surface: 233.258

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs03148498
PUBCHEM-ZINC04657805