MMsINC Database Search


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MMsINC code: MMs01704369

Type: Neutral
Formula: C₂₁H₁₇F₃N₂O₂

SMILES:

FC(F)(F)CNC(=O)c1ccccc1NC(=O)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C21H17F3N2O2/c22-21(23,24)13-25-20(28)17-10-3-4-11-18(17)26-19(27)12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11H,12-13H2,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.251 kcal/mol

Physical Properties
Molecular Weight: 386.373 g/mol	logS: -6.52334	SlogP: 4.73297	Reactive groups: 0

Topological Properties
Globularity: 0.107668	Sterimol/B1: 2.30291	Sterimol/B2: 2.54817	Sterimol/B3: 6.10254
Sterimol/B4: 8.08456	Sterimol/L: 16.9123

Surface and Volume Properties
Accessible surface: 625.973	Positive charged surface: 302.092	Negative charged surface: 315.04	Volume: 340.625
Hydrophobic surface: 464.156	Hydrophilic surface: 161.817

Pharmacophoric Properties
Hydrogen bond donors: 2	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.