MMsINC Database Search


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MMsINC code: MMs01618568

Type: Neutral
Formula: C₁₉H₁₇F₃N₂O₂

SMILES:

FC(F)(F)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccccc1

InChI:

InChI=1/C19H17F3N2O2/c20-19(21,22)16-8-6-15(7-9-16)18(26)24-12-10-23(11-13-24)17(25)14-4-2-1-3-5-14/h1-9H,10-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.301 kcal/mol

Physical Properties
Molecular Weight: 362.351 g/mol	logS: -4.46489	SlogP: 3.6151	Reactive groups: 0

Topological Properties
Globularity: 0.0755473	Sterimol/B1: 2.4972	Sterimol/B2: 3.30687	Sterimol/B3: 3.35057
Sterimol/B4: 8.20653	Sterimol/L: 15.5884

Surface and Volume Properties
Accessible surface: 572.021	Positive charged surface: 292.269	Negative charged surface: 279.752	Volume: 314.25
Hydrophobic surface: 405.143	Hydrophilic surface: 166.878

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.