MMsINC Database Search


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MMsINC code: MMs00959337

Type: Neutral
Formula: C₂₀H₁₈F₂N₂O₄

SMILES:

Fc1cc(F)ccc1NC(=O)C=1c2c(cc(OC)c(OC)c2)C(=O)N(C=1)CC

InChI:

InChI=1/C20H18F2N2O4/c1-4-24-10-14(19(25)23-16-6-5-11(21)7-15(16)22)12-8-17(27-2)18(28-3)9-13(12)20(24)26/h5-10H,4H2,1-3H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.807 kcal/mol

Physical Properties
Molecular Weight: 388.37 g/mol	logS: -4.84394	SlogP: 3.4373	Reactive groups: 0

Topological Properties
Globularity: 0.0253851	Sterimol/B1: 2.03839	Sterimol/B2: 2.57268	Sterimol/B3: 3.48396
Sterimol/B4: 11.494	Sterimol/L: 17.1759

Surface and Volume Properties
Accessible surface: 615.103	Positive charged surface: 400.09	Negative charged surface: 215.013	Volume: 339.75
Hydrophobic surface: 524.262	Hydrophilic surface: 90.841

Pharmacophoric Properties
Hydrogen bond donors: 1	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.