MMsINC Database Search


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MMsINC code: MMs00078724

Type: Neutral
Formula: C₂₀H₁₃FO₃

SMILES:

Fc1ccc(cc1)COc1cc2OC(=O)c3c(-c2cc1)cccc3

InChI:

InChI=1/C20H13FO3/c21-14-7-5-13(6-8-14)12-23-15-9-10-17-16-3-1-2-4-18(16)20(22)24-19(17)11-15/h1-11H,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.6022 kcal/mol

Physical Properties
Molecular Weight: 320.319 g/mol	logS: -6.80482	SlogP: 4.8707	Reactive groups: 0

Topological Properties
Globularity: 0.0341693	Sterimol/B1: 2.44461	Sterimol/B2: 3.61833	Sterimol/B3: 3.62327
Sterimol/B4: 6.51693	Sterimol/L: 18.6308

Surface and Volume Properties
Accessible surface: 556.063	Positive charged surface: 269.125	Negative charged surface: 276.246	Volume: 293.25
Hydrophobic surface: 485.245	Hydrophilic surface: 70.818

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