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MMsINC code: MMs01908651

Type: Neutral
Formula: C₂₀H₁₆FNO₅

SMILES:

Fc1ccc(cc1)C1N(CC(O)=O)C(=O)C(=O)C1C(=O)c1ccc(cc1)C

InChI:

InChI=1/C20H16FNO5/c1-11-2-4-13(5-3-11)18(25)16-17(12-6-8-14(21)9-7-12)22(10-15(23)24)20(27)19(16)26/h2-9,16-17H,10H2,1H3,(H,23,24)/t16-,17+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8716 kcal/mol

Physical Properties
Molecular Weight: 369.348 g/mol	logS: -4.52568	SlogP: 2.26572	Reactive groups: 0

Topological Properties
Globularity: 0.122328	Sterimol/B1: 3.95231	Sterimol/B2: 4.242	Sterimol/B3: 5.33418
Sterimol/B4: 6.14754	Sterimol/L: 15.425

Surface and Volume Properties
Accessible surface: 595.489	Positive charged surface: 296.264	Negative charged surface: 299.225	Volume: 327
Hydrophobic surface: 405.733	Hydrophilic surface: 189.756

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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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