MMsINC Database Search


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

MMsINC code: MMs01180749

Type: Neutral
Formula: C₂₃H₂₃FN₂O₃

SMILES:

Fc1ccc(cc1)CNC(=O)CCN(C(=O)c1ccoc1C)Cc1ccccc1

InChI:

InChI=1/C23H23FN2O3/c1-17-21(12-14-29-17)23(28)26(16-19-5-3-2-4-6-19)13-11-22(27)25-15-18-7-9-20(24)10-8-18/h2-10,12,14H,11,13,15-16H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.902 kcal/mol

Physical Properties
Molecular Weight: 394.446 g/mol	logS: -5.22233	SlogP: 4.60882	Reactive groups: 0

Topological Properties
Globularity: 0.0603271	Sterimol/B1: 2.29098	Sterimol/B2: 3.34785	Sterimol/B3: 4.14899
Sterimol/B4: 9.90714	Sterimol/L: 18.949

Surface and Volume Properties
Accessible surface: 682.417	Positive charged surface: 370.766	Negative charged surface: 311.651	Volume: 376.875
Hydrophobic surface: 600.218	Hydrophilic surface: 82.199

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.