MMsINC Database Search


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MMsINC code: MMs02154889

Type: Neutral
Formula: C₁₇H₁₇F₃N₂O₄

SMILES:

FC(F)(F)c1cc(OC)ncc1C(=O)NCc1cc(OC)ccc1OC

InChI:

InChI=1/C17H17F3N2O4/c1-24-11-4-5-14(25-2)10(6-11)8-22-16(23)12-9-21-15(26-3)7-13(12)17(18,19)20/h4-7,9H,8H2,1-3H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.8316 kcal/mol

Physical Properties
Molecular Weight: 370.327 g/mol	logS: -3.55972	SlogP: 3.6341	Reactive groups: 0

Topological Properties
Globularity: 0.153784	Sterimol/B1: 2.42104	Sterimol/B2: 3.71463	Sterimol/B3: 6.42126
Sterimol/B4: 7.57052	Sterimol/L: 16.1564

Surface and Volume Properties
Accessible surface: 607.611	Positive charged surface: 421.612	Negative charged surface: 185.999	Volume: 315.625
Hydrophobic surface: 449.875	Hydrophilic surface: 157.736

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.