MMsINC Database Search


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MMsINC code: MMs03622001

Type: Neutral
Formula: C₁₇H₁₁F₇N₂O₂

SMILES:

Fc1ccc(NC(=O)c2ccccc2NC(=O)C(C(F)(F)F)C(F)(F)F)cc1

InChI:

InChI=1/C17H11F7N2O2/c18-9-5-7-10(8-6-9)25-14(27)11-3-1-2-4-12(11)26-15(28)13(16(19,20)21)17(22,23)24/h1-8,13H,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.908 kcal/mol

Physical Properties
Molecular Weight: 408.273 g/mol	logS: -5.7744	SlogP: 5.5971	Reactive groups: 1

Topological Properties
Globularity: 0.0487033	Sterimol/B1: 2.52284	Sterimol/B2: 3.0814	Sterimol/B3: 4.04052
Sterimol/B4: 9.01725	Sterimol/L: 15.1406

Surface and Volume Properties
Accessible surface: 572.662	Positive charged surface: 217.303	Negative charged surface: 355.359	Volume: 302.25
Hydrophobic surface: 359.94	Hydrophilic surface: 212.722

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.