MMsINC Database Search


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MMsINC code: MMs01629248

Type: Neutral
Formula: C₂₀H₁₅FO₄

SMILES:

Fc1ccc(cc1)\C=C\C(Oc1cc2OC(=O)C=C(c2cc1)CC)=O

InChI:

InChI=1/C20H15FO4/c1-2-14-11-20(23)25-18-12-16(8-9-17(14)18)24-19(22)10-5-13-3-6-15(21)7-4-13/h3-12H,2H2,1H3/b10-5+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1902 kcal/mol

Physical Properties
Molecular Weight: 338.334 g/mol	logS: -6.53148	SlogP: 4.1569	Reactive groups: 0

Topological Properties
Globularity: 0.0304184	Sterimol/B1: 2.36408	Sterimol/B2: 3.078	Sterimol/B3: 3.48886
Sterimol/B4: 6.90394	Sterimol/L: 19.2495

Surface and Volume Properties
Accessible surface: 600.892	Positive charged surface: 299.544	Negative charged surface: 301.348	Volume: 309.125
Hydrophobic surface: 475.597	Hydrophilic surface: 125.295

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.