MMsINC Database Search


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MMsINC code: MMs01183445

Type: Neutral
Formula: C₁₈H₁₇F₃N₄O₂

SMILES:

FC(F)(F)CN(C(=O)c1ncoc1-c1ccccc1)Cc1n(nc(c1)C)C

InChI:

InChI=1/C18H17F3N4O2/c1-12-8-14(24(2)23-12)9-25(10-18(19,20)21)17(26)15-16(27-11-22-15)13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.45 kcal/mol

Physical Properties
Molecular Weight: 378.354 g/mol	logS: -4.4349	SlogP: 4.63372	Reactive groups: 0

Topological Properties
Globularity: 0.194491	Sterimol/B1: 2.13593	Sterimol/B2: 4.43719	Sterimol/B3: 5.14621
Sterimol/B4: 7.34933	Sterimol/L: 15.6902

Surface and Volume Properties
Accessible surface: 577.775	Positive charged surface: 342.243	Negative charged surface: 235.532	Volume: 326.75
Hydrophobic surface: 397.995	Hydrophilic surface: 179.78

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.