MMsINC Database Search


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MMsINC code: MMs00586820

Type: Neutral
Formula: C₂₁H₁₃FO₄

SMILES:

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

InChI:

InChI=1/C21H13FO4/c22-14-7-5-13(6-8-14)19(23)12-25-15-9-10-17-16-3-1-2-4-18(16)21(24)26-20(17)11-15/h1-11H,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.09 kcal/mol

Physical Properties
Molecular Weight: 348.329 g/mol	logS: -7.13617	SlogP: 4.287	Reactive groups: 0

Topological Properties
Globularity: 0.0036663	Sterimol/B1: 2.23614	Sterimol/B2: 2.52112	Sterimol/B3: 2.74791
Sterimol/B4: 6.63173	Sterimol/L: 19.044

Surface and Volume Properties
Accessible surface: 584.784	Positive charged surface: 277.562	Negative charged surface: 296.53	Volume: 311.875
Hydrophobic surface: 479.617	Hydrophilic surface: 105.167

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.