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ACROSORGANICS-ZINC00090750

MMsINC code: MMs00003921

Type: Ionized
Formula: C₈H₄O₄-2

SMILES:

O=C([O-])c1ccccc1C(=O)[O-]

InChI:

InChI=1/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.7527 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 164.116 g/mol	logS: -1.84458	SlogP: -1.5864	Reactive groups: 0

Topological Properties
Globularity: 0.0592282	Sterimol/B1: 2.86271	Sterimol/B2: 2.87365	Sterimol/B3: 3.63719
Sterimol/B4: 5.02873	Sterimol/L: 8.75079

Surface and Volume Properties
Accessible surface: 315.713	Positive charged surface: 103.394	Negative charged surface: 212.319	Volume: 137.125
Hydrophobic surface: 156.427	Hydrophilic surface: 159.286

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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:

MMs00003920
ACROSORGANICS-ZINC00090750