MMsINC Database Search


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

MMsINC code: MMs01160613

Type: Neutral
Formula: C₂₅H₂₀F₂N₂O

SMILES:

Fc1cc(F)ccc1-n1c(cc(C(=O)NCc2ccccc2)c1C)-c1ccccc1

InChI:

InChI=1/C25H20F2N2O/c1-17-21(25(30)28-16-18-8-4-2-5-9-18)15-24(19-10-6-3-7-11-19)29(17)23-13-12-20(26)14-22(23)27/h2-15H,16H2,1H3,(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.317 kcal/mol

Physical Properties
Molecular Weight: 402.444 g/mol	logS: -6.75853	SlogP: 5.92732	Reactive groups: 0

Topological Properties
Globularity: 0.0586183	Sterimol/B1: 1.99442	Sterimol/B2: 3.60183	Sterimol/B3: 3.90362
Sterimol/B4: 9.85198	Sterimol/L: 18.2291

Surface and Volume Properties
Accessible surface: 673.222	Positive charged surface: 349.51	Negative charged surface: 323.712	Volume: 384.25
Hydrophobic surface: 625.704	Hydrophilic surface: 47.518

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.