MMsINC Database Search


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MMsINC code: MMs01281696

Type: Neutral
Formula: C₁₉H₁₅FO₅

SMILES:

Fc1cc(ccc1OC)COC(=O)c1cc(O)c2c(cccc2)c1O

InChI:

InChI=1/C19H15FO5/c1-24-17-7-6-11(8-15(17)20)10-25-19(23)14-9-16(21)12-4-2-3-5-13(12)18(14)22/h2-9,21-22H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.266 kcal/mol

Physical Properties
Molecular Weight: 342.322 g/mol	logS: -5.03385	SlogP: 4.0221	Reactive groups: 0

Topological Properties
Globularity: 0.0408568	Sterimol/B1: 2.63255	Sterimol/B2: 3.28948	Sterimol/B3: 5.00764
Sterimol/B4: 5.88284	Sterimol/L: 18.6165

Surface and Volume Properties
Accessible surface: 588.585	Positive charged surface: 354.624	Negative charged surface: 223.569	Volume: 305.75
Hydrophobic surface: 461.756	Hydrophilic surface: 126.829

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: no related molecules available.