MMsINC Database Search


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

MMsINC code: MMs02202398

Type: Neutral
Formula: C₂₄H₁₇F₂NO

SMILES:

Fc1ccc(cc1)-c1nc(cc(c1)-c1ccc(OC)cc1)-c1ccc(F)cc1

InChI:

InChI=1/C24H17F2NO/c1-28-22-12-6-16(7-13-22)19-14-23(17-2-8-20(25)9-3-17)27-24(15-19)18-4-10-21(26)11-5-18/h2-15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.232 kcal/mol

Physical Properties
Molecular Weight: 373.402 g/mol	logS: -7.98382	SlogP: 6.3694	Reactive groups: 0

Topological Properties
Globularity: 0.00245904	Sterimol/B1: 2.37418	Sterimol/B2: 2.37621	Sterimol/B3: 6.88613
Sterimol/B4: 8.09325	Sterimol/L: 16.9916

Surface and Volume Properties
Accessible surface: 632.657	Positive charged surface: 300.933	Negative charged surface: 308.405	Volume: 356.75
Hydrophobic surface: 603.292	Hydrophilic surface: 29.365

Pharmacophoric Properties
Hydrogen bond donors: 0	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.