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MMsINC code: MMs03855007

Type: Neutral
Formula: C₁₄H₁₂O₅

SMILES:

o1c(ccc1COc1ccccc1C(=O)C)C(O)=O

InChI:

InChI=1/C14H12O5/c1-9(15)11-4-2-3-5-12(11)18-8-10-6-7-13(19-10)14(16)17/h2-7H,8H2,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5583 kcal/mol

Physical Properties
Molecular Weight: 260.245 g/mol	logS: -3.38932	SlogP: 3.0258	Reactive groups: 0

Topological Properties
Globularity: 0.0818668	Sterimol/B1: 2.46152	Sterimol/B2: 3.83772	Sterimol/B3: 4.05806
Sterimol/B4: 7.65125	Sterimol/L: 14.681

Surface and Volume Properties
Accessible surface: 492.572	Positive charged surface: 274.643	Negative charged surface: 217.929	Volume: 239.25
Hydrophobic surface: 337.913	Hydrophilic surface: 154.659

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs03855008
PUBCHEM-ZINC06761675