MMsINC Database Search


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

MMsINC code: MMs00995131

Type: Neutral
Formula: C₂₂H₁₇FN₂O₂

SMILES:

Fc1ccccc1-c1oc2c(n1)cc(NC(=O)c1cc(C)c(cc1)C)cc2

InChI:

InChI=1/C22H17FN2O2/c1-13-7-8-15(11-14(13)2)21(26)24-16-9-10-20-19(12-16)25-22(27-20)17-5-3-4-6-18(17)23/h3-12H,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4475 kcal/mol

Physical Properties
Molecular Weight: 360.388 g/mol	logS: -7.91336	SlogP: 5.50304	Reactive groups: 0

Topological Properties
Globularity: 0.0111781	Sterimol/B1: 2.35262	Sterimol/B2: 3.69303	Sterimol/B3: 4.64047
Sterimol/B4: 5.52799	Sterimol/L: 20.3188

Surface and Volume Properties
Accessible surface: 634.266	Positive charged surface: 349.58	Negative charged surface: 284.686	Volume: 337.875
Hydrophobic surface: 560.892	Hydrophilic surface: 73.374

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.