MMsINC Database Search


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MMsINC code: MMs00647538

Type: Neutral
Formula: C₂₃H₁₅FO₄

SMILES:

Fc1cc(ccc1)C(Oc1ccc2c(OC(=O)C=C2c2ccccc2)c1C)=O

InChI:

InChI=1/C23H15FO4/c1-14-20(27-23(26)16-8-5-9-17(24)12-16)11-10-18-19(13-21(25)28-22(14)18)15-6-3-2-4-7-15/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.621 kcal/mol

Physical Properties
Molecular Weight: 374.367 g/mol	logS: -7.118	SlogP: 4.52131	Reactive groups: 0

Topological Properties
Globularity: 0.0649212	Sterimol/B1: 3.25356	Sterimol/B2: 3.49056	Sterimol/B3: 4.38582
Sterimol/B4: 7.24923	Sterimol/L: 17.8677

Surface and Volume Properties
Accessible surface: 615.219	Positive charged surface: 317.026	Negative charged surface: 298.193	Volume: 340.75
Hydrophobic surface: 532.04	Hydrophilic surface: 83.179

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.