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MMsINC code: MMs00848483

Type: Ionized
Formula: C₁₅H₆O₅-2

SMILES:

O=C1c2cc(ccc2-c2c1cc(cc2)C(=O)[O-])C(=O)[O-]

InChI:

InChI=1/C15H8O5/c16-13-11-5-7(14(17)18)1-3-9(11)10-4-2-8(15(19)20)6-12(10)13/h1-6H,(H,17,18)(H,19,20)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.7815 kcal/mol

Physical Properties
Molecular Weight: 266.208 g/mol	logS: -4.69827	SlogP: -0.375	Reactive groups: 0

Topological Properties
Globularity: 2.75631e-08	Sterimol/B1: 2.09713	Sterimol/B2: 2.09818	Sterimol/B3: 2.84684
Sterimol/B4: 5.87612	Sterimol/L: 15.1154

Surface and Volume Properties
Accessible surface: 438.625	Positive charged surface: 155.748	Negative charged surface: 271.618	Volume: 224.125
Hydrophobic surface: 215.162	Hydrophilic surface: 223.463

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 4	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:

MMs00848482
CHEMDIV-ZINC00266972