MMsINC Database Search


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MMsINC code: MMs01895718

Type: Neutral
Formula: C₁₆H₉F₂NO₃

SMILES:

FC(F)C(=O)Nc1c2c(ccc1)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C16H9F2NO3/c17-15(18)16(22)19-11-7-3-6-10-12(11)14(21)9-5-2-1-4-8(9)13(10)20/h1-7,15H,(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.4823 kcal/mol

Physical Properties
Molecular Weight: 301.248 g/mol	logS: -4.6152	SlogP: 3.0855	Reactive groups: 0

Topological Properties
Globularity: 0.0142417	Sterimol/B1: 2.44868	Sterimol/B2: 2.69415	Sterimol/B3: 3.61102
Sterimol/B4: 6.20435	Sterimol/L: 14.3468

Surface and Volume Properties
Accessible surface: 478.495	Positive charged surface: 224.227	Negative charged surface: 254.269	Volume: 249.25
Hydrophobic surface: 294.118	Hydrophilic surface: 184.377

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.