MMsINC Database Search


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MMsINC code: MMs02799355

Type: Neutral
Formula: C₂₀H₁₇F₃N₂O₂

SMILES:

FC(F)(F)C(=O)N(CC1=Cc2c(NC1=O)cc(cc2)C)Cc1ccccc1

InChI:

InChI=1/C20H17F3N2O2/c1-13-7-8-15-10-16(18(26)24-17(15)9-13)12-25(19(27)20(21,22)23)11-14-5-3-2-4-6-14/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)=103.175 kcal/mol

Physical Properties
Molecular Weight: 374.362 g/mol	logS: -5.61617	SlogP: 4.60792	Reactive groups: 0

Topological Properties
Globularity: 0.049791	Sterimol/B1: 3.01586	Sterimol/B2: 3.11156	Sterimol/B3: 3.69627
Sterimol/B4: 6.71283	Sterimol/L: 17.5932

Surface and Volume Properties
Accessible surface: 574.324	Positive charged surface: 294.489	Negative charged surface: 279.834	Volume: 327.25
Hydrophobic surface: 402.129	Hydrophilic surface: 172.195

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.