MMsINC Database Search


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MMsINC code: MMs02809683

Type: Neutral
Formula: C₁₄H₁₁F₃N₂O

SMILES:

FC(F)(F)c1ccccc1Nc1ccccc1C(=O)N

InChI:

InChI=1/C14H11F3N2O/c15-14(16,17)10-6-2-4-8-12(10)19-11-7-3-1-5-9(11)13(18)20/h1-8,19H,(H2,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.613 kcal/mol

Physical Properties
Molecular Weight: 280.249 g/mol	logS: -4.31387	SlogP: 3.8594	Reactive groups: 0

Topological Properties
Globularity: 0.264273	Sterimol/B1: 3.608	Sterimol/B2: 4.33506	Sterimol/B3: 4.57217
Sterimol/B4: 5.73376	Sterimol/L: 12.3173

Surface and Volume Properties
Accessible surface: 453.551	Positive charged surface: 219.26	Negative charged surface: 234.291	Volume: 237.25
Hydrophobic surface: 276.976	Hydrophilic surface: 176.575

Pharmacophoric Properties
Hydrogen bond donors: 2	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.