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MMsINC code: MMs00540142

Type: Neutral
Formula: C₁₆H₁₀N₂O₆

SMILES:

o1cccc1\C=C/1\C(=O)N(c2ccc(cc2)C(O)=O)C(=O)NC\1=O

InChI:

InChI=1/C16H10N2O6/c19-13-12(8-11-2-1-7-24-11)14(20)18(16(23)17-13)10-5-3-9(4-6-10)15(21)22/h1-8H,(H,21,22)(H,17,19,23)/b12-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.9831 kcal/mol

Physical Properties
Molecular Weight: 326.264 g/mol	logS: -4.24994	SlogP: 1.6442	Reactive groups: 0

Topological Properties
Globularity: 0.0513452	Sterimol/B1: 3.2133	Sterimol/B2: 3.58329	Sterimol/B3: 3.70405
Sterimol/B4: 5.1096	Sterimol/L: 17.8353

Surface and Volume Properties
Accessible surface: 526.182	Positive charged surface: 271.615	Negative charged surface: 254.567	Volume: 273.25
Hydrophobic surface: 299.052	Hydrophilic surface: 227.13

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

MMs00540143
CHEMBLOCK-ZINC03671422