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MMsINC code: MMs02390722

Type: Neutral
Formula: C₁₄H₈O₄

SMILES:

O1c2c(cccc2C(O)=O)C(=O)c2c1cccc2

InChI:

InChI=1/C14H8O4/c15-12-8-4-1-2-7-11(8)18-13-9(12)5-3-6-10(13)14(16)17/h1-7H,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2364 kcal/mol

Physical Properties
Molecular Weight: 240.214 g/mol	logS: -3.97604	SlogP: 2.7215	Reactive groups: 0

Topological Properties
Globularity: 0.0041783	Sterimol/B1: 2.097	Sterimol/B2: 2.42914	Sterimol/B3: 4.62821
Sterimol/B4: 4.76061	Sterimol/L: 12.363

Surface and Volume Properties
Accessible surface: 416.29	Positive charged surface: 224.038	Negative charged surface: 192.252	Volume: 211.75
Hydrophobic surface: 291.261	Hydrophilic surface: 125.029

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02390723
NCID-ZINC04537913