MMsINC Database Search


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MMsINC code: MMs02611029

Type: Neutral
Formula: C₁₉H₁₅F₃N₄

SMILES:

FC(F)(F)c1cc(ccc1)-c1nc(nc(NC2CC2)c1)-c1ncccc1

InChI:

InChI=1/C19H15F3N4/c20-19(21,22)13-5-3-4-12(10-13)16-11-17(24-14-7-8-14)26-18(25-16)15-6-1-2-9-23-15/h1-6,9-11,14H,7-8H2,(H,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.2605 kcal/mol

Physical Properties
Molecular Weight: 356.351 g/mol	logS: -5.79589	SlogP: 5.1102	Reactive groups: 0

Topological Properties
Globularity: 0.024318	Sterimol/B1: 2.62571	Sterimol/B2: 3.01421	Sterimol/B3: 3.13629
Sterimol/B4: 11.127	Sterimol/L: 14.7959

Surface and Volume Properties
Accessible surface: 606.052	Positive charged surface: 311.684	Negative charged surface: 289.076	Volume: 316.25
Hydrophobic surface: 388.471	Hydrophilic surface: 217.581

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

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Ions/Tautomers related molecules: no related molecules available.