MMsINC Database Search


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MMsINC code: MMs02133363

Type: Neutral
Formula: C₁₁H₁₀F₃N₃

SMILES:

FC(F)(F)c1nn(C)c(N)c1-c1ccccc1

InChI:

InChI=1/C11H10F3N3/c1-17-10(15)8(7-5-3-2-4-6-7)9(16-17)11(12,13)14/h2-6H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.344 kcal/mol

Physical Properties
Molecular Weight: 241.216 g/mol	logS: -3.38292	SlogP: 3.3588	Reactive groups: 0

Topological Properties
Globularity: 0.119498	Sterimol/B1: 3.14954	Sterimol/B2: 3.38044	Sterimol/B3: 3.43312
Sterimol/B4: 5.65842	Sterimol/L: 12.401

Surface and Volume Properties
Accessible surface: 421.912	Positive charged surface: 224.484	Negative charged surface: 197.428	Volume: 204
Hydrophobic surface: 264.929	Hydrophilic surface: 156.983

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.