MMsINC Database Search


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MMsINC code: MMs01829364

Type: Neutral
Formula: C₉H₇F₅N₂O

SMILES:

FC(F)(C(=O)Nc1nccc(c1)C)C(F)(F)F

InChI:

InChI=1/C9H7F5N2O/c1-5-2-3-15-6(4-5)16-7(17)8(10,11)9(12,13)14/h2-4H,1H3,(H,15,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4436 kcal/mol

Physical Properties
Molecular Weight: 254.158 g/mol	logS: -2.90034	SlogP: 3.36592	Reactive groups: 1

Topological Properties
Globularity: 0.0298306	Sterimol/B1: 2.43637	Sterimol/B2: 3.01849	Sterimol/B3: 3.1171
Sterimol/B4: 5.41576	Sterimol/L: 13.4723

Surface and Volume Properties
Accessible surface: 412.8	Positive charged surface: 174.607	Negative charged surface: 238.193	Volume: 185.125
Hydrophobic surface: 199.811	Hydrophilic surface: 212.989

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.