MMsINC Database Search


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MMsINC code: MMs00101255

Type: Neutral
Formula: C₂₀H₁₄F₃NO

SMILES:

FC(F)(F)c1ccccc1C1CC(=O)Nc2c1c1c(cc2)cccc1

InChI:

InChI=1/C20H14F3NO/c21-20(22,23)16-8-4-3-7-14(16)15-11-18(25)24-17-10-9-12-5-1-2-6-13(12)19(15)17/h1-10,15H,11H2,(H,24,25)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4567 kcal/mol

Physical Properties
Molecular Weight: 341.332 g/mol	logS: -6.22965	SlogP: 5.6442	Reactive groups: 0

Topological Properties
Globularity: 0.285474	Sterimol/B1: 2.92455	Sterimol/B2: 4.22455	Sterimol/B3: 4.73403
Sterimol/B4: 7.44451	Sterimol/L: 11.9161

Surface and Volume Properties
Accessible surface: 503.232	Positive charged surface: 224.613	Negative charged surface: 269.518	Volume: 294.625
Hydrophobic surface: 366.576	Hydrophilic surface: 136.656

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.