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MMsINC code: MMs02330277

Type: Neutral
Formula: C₁₁H₈O₄

SMILES:

o1cccc1C(=O)\C=C(/O)\c1occc1

InChI:

InChI=1/C11H8O4/c12-8(10-3-1-5-14-10)7-9(13)11-4-2-6-15-11/h1-7,12H/b8-7-


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.1985 kcal/mol

Physical Properties
Molecular Weight: 204.181 g/mol	logS: -3.14073	SlogP: 2.6544	Reactive groups: 1

Topological Properties
Globularity: 0.00199827	Sterimol/B1: 2.21443	Sterimol/B2: 2.26915	Sterimol/B3: 3.62185
Sterimol/B4: 4.36155	Sterimol/L: 14.406

Surface and Volume Properties
Accessible surface: 404.904	Positive charged surface: 191.19	Negative charged surface: 213.714	Volume: 183.875
Hydrophobic surface: 332.495	Hydrophilic surface: 72.409

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs02330278
NCID-ZINC01700531