MMsINC Database Search


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MMsINC code: MMs03068394

Type: Neutral
Formula: C₁₈H₁₆FNO₄

SMILES:

Fc1cc(-c2[nH]c3c(cc(OC)cc3)c2CC(O)=O)c(OC)cc1

InChI:

InChI=1/C18H16FNO4/c1-23-11-4-5-15-12(8-11)13(9-17(21)22)18(20-15)14-7-10(19)3-6-16(14)24-2/h3-8,20H,9H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.0712 kcal/mol

Physical Properties
Molecular Weight: 329.327 g/mol	logS: -4.49657	SlogP: 3.61827	Reactive groups: 0

Topological Properties
Globularity: 0.0882198	Sterimol/B1: 3.78512	Sterimol/B2: 3.79115	Sterimol/B3: 5.1984
Sterimol/B4: 5.29816	Sterimol/L: 15.9237

Surface and Volume Properties
Accessible surface: 542.542	Positive charged surface: 354.873	Negative charged surface: 183.833	Volume: 297.75
Hydrophobic surface: 444.545	Hydrophilic surface: 97.997

Pharmacophoric Properties
Hydrogen bond donors: 3	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.