MMsINC Database Search


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MMsINC code: MMs00479961

Type: Neutral
Formula: C₁₉H₁₇F₃N₂O₂

SMILES:

FC(F)(F)c1cc(nc2c1cc(OC)c(OC)c2)NCc1ccccc1

InChI:

InChI=1/C19H17F3N2O2/c1-25-16-8-13-14(19(20,21)22)9-18(24-15(13)10-17(16)26-2)23-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6845 kcal/mol

Physical Properties
Molecular Weight: 362.351 g/mol	logS: -5.00635	SlogP: 5.4608	Reactive groups: 0

Topological Properties
Globularity: 0.0396105	Sterimol/B1: 3.61619	Sterimol/B2: 3.61983	Sterimol/B3: 4.03653
Sterimol/B4: 7.48739	Sterimol/L: 18.0101

Surface and Volume Properties
Accessible surface: 600.239	Positive charged surface: 360.045	Negative charged surface: 234.23	Volume: 319.25
Hydrophobic surface: 442.666	Hydrophilic surface: 157.573

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.