MMsINC Database Search


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MMsINC code: MMs01270066

Type: Neutral
Formula: C₁₅H₁₄O₆

SMILES:

o1c(ccc1COC(=O)c1ccc(OC)cc1)C(OC)=O

InChI:

InChI=1/C15H14O6/c1-18-11-5-3-10(4-6-11)14(16)20-9-12-7-8-13(21-12)15(17)19-2/h3-8H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.6393 kcal/mol

Physical Properties
Molecular Weight: 290.271 g/mol	logS: -3.87111	SlogP: 2.6982	Reactive groups: 0

Topological Properties
Globularity: 0.0644529	Sterimol/B1: 2.12177	Sterimol/B2: 3.59699	Sterimol/B3: 4.36419
Sterimol/B4: 7.08036	Sterimol/L: 17.106

Surface and Volume Properties
Accessible surface: 559.067	Positive charged surface: 371.017	Negative charged surface: 188.051	Volume: 266.25
Hydrophobic surface: 444.124	Hydrophilic surface: 114.943

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.