MMsINC Database Search


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MMsINC code: MMs02940733

Type: Neutral
Formula: C₂₀H₁₅F₃N₂O₂

SMILES:

FC(F)(F)c1ccccc1NC(=O)Nc1ccc(Oc2ccccc2)cc1

InChI:

InChI=1/C20H15F3N2O2/c21-20(22,23)17-8-4-5-9-18(17)25-19(26)24-14-10-12-16(13-11-14)27-15-6-2-1-3-7-15/h1-13H,(H2,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.091 kcal/mol

Physical Properties
Molecular Weight: 372.346 g/mol	logS: -6.09131	SlogP: 6.4532	Reactive groups: 0

Topological Properties
Globularity: 0.0374822	Sterimol/B1: 2.96033	Sterimol/B2: 4.27999	Sterimol/B3: 4.78666
Sterimol/B4: 5.20427	Sterimol/L: 18.992

Surface and Volume Properties
Accessible surface: 606.114	Positive charged surface: 288.034	Negative charged surface: 318.08	Volume: 324
Hydrophobic surface: 466.962	Hydrophilic surface: 139.152

Pharmacophoric Properties
Hydrogen bond donors: 2	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.