MMsINC Database Search


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MMsINC code: MMs02761894

Type: Neutral
Formula: C₁₅H₁₃F₃N₂O₂

SMILES:

FC(F)(F)c1cc(OCC(=O)NCc2cccnc2)ccc1

InChI:

InChI=1/C15H13F3N2O2/c16-15(17,18)12-4-1-5-13(7-12)22-10-14(21)20-9-11-3-2-6-19-8-11/h1-8H,9-10H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2147 kcal/mol

Physical Properties
Molecular Weight: 310.275 g/mol	logS: -3.17414	SlogP: 3.3735	Reactive groups: 0

Topological Properties
Globularity: 0.032922	Sterimol/B1: 2.56296	Sterimol/B2: 3.60931	Sterimol/B3: 3.62135
Sterimol/B4: 5.86206	Sterimol/L: 18.1744

Surface and Volume Properties
Accessible surface: 544.213	Positive charged surface: 294.263	Negative charged surface: 249.95	Volume: 266.875
Hydrophobic surface: 360.438	Hydrophilic surface: 183.775

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.