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MMsINC code: MMs02306114

Type: Neutral
Formula: C₁₄H₁₀O₅

SMILES:

Oc1ccc(O)cc1C(=O)c1ccccc1C(O)=O

InChI:

InChI=1/C14H10O5/c15-8-5-6-12(16)11(7-8)13(17)9-3-1-2-4-10(9)14(18)19/h1-7,15-16H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0898 kcal/mol

Physical Properties
Molecular Weight: 258.229 g/mol	logS: -2.70319	SlogP: 2.027	Reactive groups: 0

Topological Properties
Globularity: 0.220859	Sterimol/B1: 2.80838	Sterimol/B2: 2.90756	Sterimol/B3: 4.95868
Sterimol/B4: 5.6275	Sterimol/L: 12.3757

Surface and Volume Properties
Accessible surface: 443.599	Positive charged surface: 249.395	Negative charged surface: 194.205	Volume: 228.5
Hydrophobic surface: 251.058	Hydrophilic surface: 192.541

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs02306115
NCID-ZINC01670022