MMsINC Database Search


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MMsINC code: MMs01239157

Type: Neutral
Formula: C₁₆H₁₀F₆N₂O₄

SMILES:

FC(F)(F)c1cc(cc(NC(=O)COc2ccccc2[N+](=O)[O-])c1)C(F)(F)F

InChI:

InChI=1/C16H10F6N2O4/c17-15(18,19)9-5-10(16(20,21)22)7-11(6-9)23-14(25)8-28-13-4-2-1-3-12(13)24(26)27/h1-7H,8H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.863 kcal/mol

Physical Properties
Molecular Weight: 408.254 g/mol	logS: -6.33502	SlogP: 5.2729	Reactive groups: 0

Topological Properties
Globularity: 0.0249386	Sterimol/B1: 2.99951	Sterimol/B2: 3.05652	Sterimol/B3: 3.75121
Sterimol/B4: 5.58762	Sterimol/L: 17.043

Surface and Volume Properties
Accessible surface: 590.441	Positive charged surface: 198.846	Negative charged surface: 391.595	Volume: 294.875
Hydrophobic surface: 265.317	Hydrophilic surface: 325.124

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.