MMsINC Database Search


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

MMsINC code: MMs01082319

Type: Neutral
Formula: C₂₅H₂₃FN₂O₃

SMILES:

Fc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)COc1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C25H23FN2O3/c26-22-10-6-21(7-11-22)25(30)28-16-14-27(15-17-28)24(29)18-31-23-12-8-20(9-13-23)19-4-2-1-3-5-19/h1-13H,14-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.971 kcal/mol

Physical Properties
Molecular Weight: 418.468 g/mol	logS: -6.20652	SlogP: 3.8561	Reactive groups: 0

Topological Properties
Globularity: 0.0187082	Sterimol/B1: 3.11894	Sterimol/B2: 3.26452	Sterimol/B3: 4.37362
Sterimol/B4: 7.5292	Sterimol/L: 20.3868

Surface and Volume Properties
Accessible surface: 708.594	Positive charged surface: 399.35	Negative charged surface: 298.497	Volume: 395.375
Hydrophobic surface: 634.217	Hydrophilic surface: 74.377

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.