MMsINC Database Search


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MMsINC code: MMs00173502

Type: Neutral
Formula: C₁₄H₉F₃N₂O₃

SMILES:

Fc1c(F)c(F)ccc1NC(=O)COC(=O)c1cccnc1

InChI:

InChI=1/C14H9F3N2O3/c15-9-3-4-10(13(17)12(9)16)19-11(20)7-22-14(21)8-2-1-5-18-6-8/h1-6H,7H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.2027 kcal/mol

Physical Properties
Molecular Weight: 310.231 g/mol	logS: -3.38984	SlogP: 2.2944	Reactive groups: 0

Topological Properties
Globularity: 0.013075	Sterimol/B1: 2.54255	Sterimol/B2: 2.85784	Sterimol/B3: 4.02714
Sterimol/B4: 4.08884	Sterimol/L: 17.0529

Surface and Volume Properties
Accessible surface: 517.666	Positive charged surface: 289.087	Negative charged surface: 228.58	Volume: 247.75
Hydrophobic surface: 418.312	Hydrophilic surface: 99.354

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.