MMsINC Database Search


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

MMsINC code: MMs01208954

Type: Neutral
Formula: C₂₄H₂₇FN₂O

SMILES:

Fc1ccc(cc1)CNC(=O)c1n(Cc2cc(ccc2)C)c(C)c(CC)c1C

InChI:

InChI=1/C24H27FN2O/c1-5-22-17(3)23(24(28)26-14-19-9-11-21(25)12-10-19)27(18(22)4)15-20-8-6-7-16(2)13-20/h6-13H,5,14-15H2,1-4H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.093 kcal/mol

Physical Properties
Molecular Weight: 378.491 g/mol	logS: -5.47541	SlogP: 5.62593	Reactive groups: 0

Topological Properties
Globularity: 0.1393	Sterimol/B1: 2.91254	Sterimol/B2: 4.98692	Sterimol/B3: 5.21787
Sterimol/B4: 7.21574	Sterimol/L: 16.4282

Surface and Volume Properties
Accessible surface: 633.712	Positive charged surface: 377.904	Negative charged surface: 255.808	Volume: 382.375
Hydrophobic surface: 558.063	Hydrophilic surface: 75.649

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.