MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02995987

Type: Neutral
Formula: C₂₀H₂₂F₂N₂O₂

SMILES:

Fc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1F

InChI:

InChI=1/C20H22F2N2O2/c21-15-9-5-7-11-17(15)23-19(25)13-3-1-2-4-14-20(26)24-18-12-8-6-10-16(18)22/h5-12H,1-4,13-14H2,(H,23,25)(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6893 kcal/mol

Physical Properties
Molecular Weight: 360.404 g/mol	logS: -5.37118	SlogP: 4.8826	Reactive groups: 0

Topological Properties
Globularity: 0.0119176	Sterimol/B1: 2.09833	Sterimol/B2: 2.44867	Sterimol/B3: 3.31885
Sterimol/B4: 5.30968	Sterimol/L: 23.3421

Surface and Volume Properties
Accessible surface: 659.51	Positive charged surface: 405.547	Negative charged surface: 253.963	Volume: 340.875
Hydrophobic surface: 580.87	Hydrophilic surface: 78.64

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.