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MMsINC code: MMs02253504

Type: Ionized
Formula: C₁₆H₆O₈-4

SMILES:

O=C([O-])c1cccc(C(=O)[O-])c1-c1c(cccc1C(=O)[O-])C(=O)[O-]

InChI:

InChI=1/C16H10O8/c17-13(18)7-3-1-4-8(14(19)20)11(7)12-9(15(21)22)5-2-6-10(12)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)/p-4

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.442 kcal/mol

Physical Properties
Molecular Weight: 326.216 g/mol	logS: -4.73066	SlogP: -3.1924	Reactive groups: 0

Topological Properties
Globularity: 0.362925	Sterimol/B1: 4.06422	Sterimol/B2: 4.28824	Sterimol/B3: 4.58271
Sterimol/B4: 4.80334	Sterimol/L: 12.3031

Surface and Volume Properties
Accessible surface: 464.594	Positive charged surface: 159.934	Negative charged surface: 304.659	Volume: 262.375
Hydrophobic surface: 195.161	Hydrophilic surface: 269.433

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 8	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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Parent related molecule:

MMs02253503
NCID-ZINC01600331