MMsINC Database Search


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MMsINC code: MMs03002638

Type: Neutral
Formula: C₁₁H₈F₇NO

SMILES:

FC(F)(C(F)(F)C(F)(F)F)C(=O)Nc1cc(ccc1)C

InChI:

InChI=1/C11H8F7NO/c1-6-3-2-4-7(5-6)19-8(20)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)=71.5326 kcal/mol

Physical Properties
Molecular Weight: 303.177 g/mol	logS: -4.55056	SlogP: 5.02612	Reactive groups: 1

Topological Properties
Globularity: 0.0422308	Sterimol/B1: 2.40024	Sterimol/B2: 3.02073	Sterimol/B3: 3.53595
Sterimol/B4: 5.71467	Sterimol/L: 14.2583

Surface and Volume Properties
Accessible surface: 443.907	Positive charged surface: 149.939	Negative charged surface: 293.968	Volume: 213.125
Hydrophobic surface: 214.592	Hydrophilic surface: 229.315

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.