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MMsINC code: MMs01676285

Type: Neutral
Formula: C₂₀H₂₃F₃N₄O

SMILES:

FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(C(=O)N(C)c1ccccc1)C

InChI:

InChI=1/C20H23F3N4O/c1-15(19(28)25(2)17-6-4-3-5-7-17)26-10-12-27(13-11-26)18-9-8-16(14-24-18)20(21,22)23/h3-9,14-15H,10-13H2,1-2H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=181.303 kcal/mol

Physical Properties
Molecular Weight: 392.425 g/mol	logS: -3.68634	SlogP: 3.5854	Reactive groups: 0

Topological Properties
Globularity: 0.0555796	Sterimol/B1: 2.29153	Sterimol/B2: 2.3553	Sterimol/B3: 4.98234
Sterimol/B4: 7.15525	Sterimol/L: 18.9894

Surface and Volume Properties
Accessible surface: 635.343	Positive charged surface: 387.454	Negative charged surface: 247.889	Volume: 357
Hydrophobic surface: 473.723	Hydrophilic surface: 161.62

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01676286
ENAMINE-ZINC06578865