MMsINC Database Search


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

MMsINC code: MMs01669649

Type: Neutral
Formula: C₂₃H₂₃FN₂O

SMILES:

Fc1ccccc1CN(CC(=O)NC(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C23H23FN2O/c1-26(16-20-14-8-9-15-21(20)24)17-22(27)25-23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,23H,16-17H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.756 kcal/mol

Physical Properties
Molecular Weight: 362.448 g/mol	logS: -5.25968	SlogP: 4.5252	Reactive groups: 0

Topological Properties
Globularity: 0.0935593	Sterimol/B1: 3.55868	Sterimol/B2: 4.16646	Sterimol/B3: 5.18993
Sterimol/B4: 6.04768	Sterimol/L: 17.6346

Surface and Volume Properties
Accessible surface: 651.969	Positive charged surface: 392.315	Negative charged surface: 259.654	Volume: 364.375
Hydrophobic surface: 618.785	Hydrophilic surface: 33.184

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

MMs01669650
ENAMINE-ZINC06542585