MMsINC Database Search


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MMsINC code: MMs00565810

Type: Neutral
Formula: C₁₇H₁₆F₃N₃O₂

SMILES:

FC(F)(F)c1[nH]c2c(n1)cccc2NCc1cc(OC)cc(OC)c1

InChI:

InChI=1/C17H16F3N3O2/c1-24-11-6-10(7-12(8-11)25-2)9-21-13-4-3-5-14-15(13)23-16(22-14)17(18,19)20/h3-8,21H,9H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.9865 kcal/mol

Physical Properties
Molecular Weight: 351.328 g/mol	logS: -4.35807	SlogP: 4.7889	Reactive groups: 0

Topological Properties
Globularity: 0.113357	Sterimol/B1: 2.49127	Sterimol/B2: 4.74542	Sterimol/B3: 5.92968
Sterimol/B4: 7.10441	Sterimol/L: 15.2133

Surface and Volume Properties
Accessible surface: 589.665	Positive charged surface: 350.734	Negative charged surface: 238.932	Volume: 301.25
Hydrophobic surface: 406.591	Hydrophilic surface: 183.074

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.