MMsINC Database Search


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MMsINC code: MMs00242008

Type: Neutral
Formula: C₂₀H₁₇F₃N₂O₂

SMILES:

FC(F)(F)C(=O)N(CC1=Cc2c(NC1=O)c(ccc2)C)Cc1ccccc1

InChI:

InChI=1/C20H17F3N2O2/c1-13-6-5-9-15-10-16(18(26)24-17(13)15)12-25(19(27)20(21,22)23)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.804 kcal/mol

Physical Properties
Molecular Weight: 374.362 g/mol	logS: -5.30272	SlogP: 4.60792	Reactive groups: 0

Topological Properties
Globularity: 0.0571801	Sterimol/B1: 2.01466	Sterimol/B2: 2.99167	Sterimol/B3: 3.84189
Sterimol/B4: 8.28071	Sterimol/L: 16.587

Surface and Volume Properties
Accessible surface: 567.17	Positive charged surface: 286.328	Negative charged surface: 280.842	Volume: 327
Hydrophobic surface: 406.256	Hydrophilic surface: 160.914

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.