MMsINC Database Search


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

MMsINC code: MMs01673475

Type: Neutral
Formula: C₂₀H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)CN(C(=O)c1cccc(C)c1C)CC

InChI:

InChI=1/C20H23FN2O2/c1-4-23(20(25)18-7-5-6-14(2)15(18)3)13-19(24)22-12-16-8-10-17(21)11-9-16/h5-11H,4,12-13H2,1-3H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1629 kcal/mol

Physical Properties
Molecular Weight: 342.414 g/mol	logS: -4.93552	SlogP: 3.48744	Reactive groups: 0

Topological Properties
Globularity: 0.0656036	Sterimol/B1: 2.25526	Sterimol/B2: 2.50491	Sterimol/B3: 5.96256
Sterimol/B4: 6.39934	Sterimol/L: 19.2335

Surface and Volume Properties
Accessible surface: 621.584	Positive charged surface: 374.375	Negative charged surface: 247.209	Volume: 339.625
Hydrophobic surface: 531.628	Hydrophilic surface: 89.956

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.