MMsINC Database Search


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MMsINC code: MMs02101297

Type: Neutral
Formula: C₁₄H₁₀F₃N₃

SMILES:

FC(F)(F)c1cc2n(nc(c2nc1)-c1ccccc1)C

InChI:

InChI=1/C14H10F3N3/c1-20-11-7-10(14(15,16)17)8-18-13(11)12(19-20)9-5-3-2-4-6-9/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3256 kcal/mol

Physical Properties
Molecular Weight: 277.249 g/mol	logS: -3.724	SlogP: 4.3248	Reactive groups: 0

Topological Properties
Globularity: 0.0348172	Sterimol/B1: 2.31136	Sterimol/B2: 2.53802	Sterimol/B3: 3.40067
Sterimol/B4: 7.72999	Sterimol/L: 14.0356

Surface and Volume Properties
Accessible surface: 472.517	Positive charged surface: 246.069	Negative charged surface: 226.449	Volume: 236.75
Hydrophobic surface: 336.194	Hydrophilic surface: 136.323

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.