MMsINC Database Search


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MMsINC code: MMs02991145

Type: Neutral
Formula: C₁₁H₈F₇NO

SMILES:

FC(F)(C(F)(F)C(F)(F)F)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C11H8F7NO/c1-6(20)19-8-4-2-7(3-5-8)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8264 kcal/mol

Physical Properties
Molecular Weight: 303.177 g/mol	logS: -4.05756	SlogP: 5.0857	Reactive groups: 0

Topological Properties
Globularity: 0.0442298	Sterimol/B1: 2.93367	Sterimol/B2: 3.12007	Sterimol/B3: 3.30337
Sterimol/B4: 4.15993	Sterimol/L: 14.3557

Surface and Volume Properties
Accessible surface: 438.415	Positive charged surface: 158.287	Negative charged surface: 280.128	Volume: 213
Hydrophobic surface: 202.18	Hydrophilic surface: 236.235

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.