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MMsINC code: MMs03065851

Type: Neutral
Formula: C₂₀H₂₀F₂N₂O₂

SMILES:

Fc1cc(F)ccc1-c1[nH]c2c(cc(cc2)CC(O)=O)c1CCCCN

InChI:

InChI=1/C20H20F2N2O2/c21-13-5-6-15(17(22)11-13)20-14(3-1-2-8-23)16-9-12(10-19(25)26)4-7-18(16)24-20/h4-7,9,11,24H,1-3,8,10,23H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.0781 kcal/mol

Physical Properties
Molecular Weight: 358.388 g/mol	logS: -4.82072	SlogP: 4.02154	Reactive groups: 0

Topological Properties
Globularity: 0.100035	Sterimol/B1: 3.16797	Sterimol/B2: 3.5873	Sterimol/B3: 3.99399
Sterimol/B4: 9.41078	Sterimol/L: 16.1926

Surface and Volume Properties
Accessible surface: 620.994	Positive charged surface: 393.69	Negative charged surface: 223.85	Volume: 331.625
Hydrophobic surface: 436.088	Hydrophilic surface: 184.906

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	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.