MMsINC Database Search


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

MMsINC code: MMs02916620

Type: Neutral
Formula: C₁₉H₁₈F₂N₂O₂

SMILES:

Fc1ccccc1C(=O)N1CCCN(CC1)C(=O)c1ccccc1F

InChI:

InChI=1/C19H18F2N2O2/c20-16-8-3-1-6-14(16)18(24)22-10-5-11-23(13-12-22)19(25)15-7-2-4-9-17(15)21/h1-4,6-9H,5,10-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.8766 kcal/mol

Physical Properties
Molecular Weight: 344.361 g/mol	logS: -4.20007	SlogP: 2.9531	Reactive groups: 0

Topological Properties
Globularity: 0.19963	Sterimol/B1: 2.93084	Sterimol/B2: 3.94326	Sterimol/B3: 5.60298
Sterimol/B4: 6.05078	Sterimol/L: 14.2562

Surface and Volume Properties
Accessible surface: 541.764	Positive charged surface: 314.472	Negative charged surface: 227.292	Volume: 309.875
Hydrophobic surface: 492.887	Hydrophilic surface: 48.877

Pharmacophoric Properties
Hydrogen bond donors: 0	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.