MMsINC Database Search


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

MMsINC code: MMs00156759

Type: Neutral
Formula: C₂₂H₁₇FN₂O₂

SMILES:

Fc1ccccc1C(=O)Nc1cccc(-c2oc3c(n2)cc(cc3)C)c1C

InChI:

InChI=1/C22H17FN2O2/c1-13-10-11-20-19(12-13)25-22(27-20)15-7-5-9-18(14(15)2)24-21(26)16-6-3-4-8-17(16)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)=101.651 kcal/mol

Physical Properties
Molecular Weight: 360.388 g/mol	logS: -7.59991	SlogP: 5.50304	Reactive groups: 0

Topological Properties
Globularity: 0.0297218	Sterimol/B1: 2.35861	Sterimol/B2: 4.11829	Sterimol/B3: 4.43227
Sterimol/B4: 6.48505	Sterimol/L: 19.6415

Surface and Volume Properties
Accessible surface: 614.469	Positive charged surface: 336.274	Negative charged surface: 278.195	Volume: 337.25
Hydrophobic surface: 552.948	Hydrophilic surface: 61.521

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.