MMsINC Database Search


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

MMsINC code: MMs01134283

Type: Neutral
Formula: C₂₆H₂₄FN₃O

SMILES:

Fc1ccc(cc1)CNC(=O)c1n(nc(c1)-c1cc(C)c(cc1)C)-c1cc(ccc1)C

InChI:

InChI=1/C26H24FN3O/c1-17-5-4-6-23(13-17)30-25(26(31)28-16-20-8-11-22(27)12-9-20)15-24(29-30)21-10-7-18(2)19(3)14-21/h4-15H,16H2,1-3H3,(H,28,31)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.3117 kcal/mol

Physical Properties
Molecular Weight: 413.496 g/mol	logS: -7.71766	SlogP: 5.80006	Reactive groups: 0

Topological Properties
Globularity: 0.0544043	Sterimol/B1: 2.38708	Sterimol/B2: 2.58475	Sterimol/B3: 4.66095
Sterimol/B4: 12.8026	Sterimol/L: 16.946

Surface and Volume Properties
Accessible surface: 738.768	Positive charged surface: 413.468	Negative charged surface: 325.3	Volume: 409.25
Hydrophobic surface: 686.76	Hydrophilic surface: 52.008

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.