MMsINC Database Search


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MMsINC code: MMs03185994

Type: Neutral
Formula: C₂₃H₁₉F₃N₂O₂

SMILES:

FC(F)(F)c1cc(ccc1)C(=O)NCCN(C(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H19F3N2O2/c24-23(25,26)19-11-7-10-18(16-19)21(29)27-14-15-28(20-12-5-2-6-13-20)22(30)17-8-3-1-4-9-17/h1-13,16H,14-15H2,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=203.092 kcal/mol

Physical Properties
Molecular Weight: 412.411 g/mol	logS: -6.2459	SlogP: 5.0937	Reactive groups: 0

Topological Properties
Globularity: 0.064454	Sterimol/B1: 2.48356	Sterimol/B2: 3.789	Sterimol/B3: 4.25321
Sterimol/B4: 11.2417	Sterimol/L: 17.2104

Surface and Volume Properties
Accessible surface: 656.233	Positive charged surface: 300.403	Negative charged surface: 355.831	Volume: 366
Hydrophobic surface: 489.437	Hydrophilic surface: 166.796

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.