MMsINC Database Search


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MMsINC code: MMs00588034

Type: Neutral
Formula: C₁₄H₉F₃N₂O₃

SMILES:

FC(F)(F)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]

InChI:

InChI=1/C14H9F3N2O3/c15-14(16,17)10-6-2-3-7-11(10)18-13(20)9-5-1-4-8-12(9)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)=97.2029 kcal/mol

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

Topological Properties
Globularity: 0.135679	Sterimol/B1: 2.31076	Sterimol/B2: 3.40224	Sterimol/B3: 4.99416
Sterimol/B4: 5.54239	Sterimol/L: 14.1327

Surface and Volume Properties
Accessible surface: 474.835	Positive charged surface: 177.45	Negative charged surface: 297.385	Volume: 244.375
Hydrophobic surface: 299.084	Hydrophilic surface: 175.751

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.