MMsINC Database Search


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MMsINC code: MMs01281595

Type: Neutral
Formula: C₁₄H₉F₃N₂O₃

SMILES:

FC(F)(F)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.593 kcal/mol

Physical Properties
Molecular Weight: 310.231 g/mol	logS: -5.20165	SlogP: 4.1774	Reactive groups: 0

Topological Properties
Globularity: 0.0689333	Sterimol/B1: 2.44946	Sterimol/B2: 3.1664	Sterimol/B3: 4.01593
Sterimol/B4: 6.57873	Sterimol/L: 15.3221

Surface and Volume Properties
Accessible surface: 485.864	Positive charged surface: 181.228	Negative charged surface: 304.636	Volume: 245.25
Hydrophobic surface: 283.94	Hydrophilic surface: 201.924

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.