MMsINC Database Search


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MMsINC code: MMs01382333

Type: Neutral
Formula: C₁₉H₂₀F₃N₃O₂

SMILES:

FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)Cc1ccccc1OC

InChI:

InChI=1/C19H20F3N3O2/c1-27-16-5-3-2-4-14(16)12-18(26)25-10-8-24(9-11-25)17-7-6-15(13-23-17)19(20,21)22/h2-7,13H,8-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.043 kcal/mol

Physical Properties
Molecular Weight: 379.382 g/mol	logS: -3.51713	SlogP: 3.31177	Reactive groups: 0

Topological Properties
Globularity: 0.06351	Sterimol/B1: 2.12523	Sterimol/B2: 3.009	Sterimol/B3: 4.40569
Sterimol/B4: 7.4069	Sterimol/L: 18.8065

Surface and Volume Properties
Accessible surface: 619.264	Positive charged surface: 397.59	Negative charged surface: 221.674	Volume: 335.5
Hydrophobic surface: 469.924	Hydrophilic surface: 149.34

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.