MMsINC Database Search


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MMsINC code: MMs00669425

Type: Neutral
Formula: C₂₀H₂₁F₃N₂O₂

SMILES:

FC(F)(F)c1cc(N2CCN(CC2)C(=O)Cc2ccccc2OC)ccc1

InChI:

InChI=1/C20H21F3N2O2/c1-27-18-8-3-2-5-15(18)13-19(26)25-11-9-24(10-12-25)17-7-4-6-16(14-17)20(21,22)23/h2-8,14H,9-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.842 kcal/mol

Physical Properties
Molecular Weight: 378.394 g/mol	logS: -4.46401	SlogP: 3.91677	Reactive groups: 0

Topological Properties
Globularity: 0.079531	Sterimol/B1: 2.46934	Sterimol/B2: 3.2446	Sterimol/B3: 5.08004
Sterimol/B4: 6.95577	Sterimol/L: 18.2537

Surface and Volume Properties
Accessible surface: 627.094	Positive charged surface: 377.457	Negative charged surface: 249.637	Volume: 339.625
Hydrophobic surface: 484.888	Hydrophilic surface: 142.206

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.