MMsINC Database Search


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

MMsINC code: MMs00199391

Type: Neutral
Formula: C₂₂H₁₇FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1cc(ccc1)-c1oc2cc(C)c(cc2n1)C

InChI:

InChI=1/C22H17FN2O2/c1-13-10-19-20(11-14(13)2)27-22(25-19)16-4-3-5-18(12-16)24-21(26)15-6-8-17(23)9-7-15/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)=98.192 kcal/mol

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

Topological Properties
Globularity: 0.0121789	Sterimol/B1: 2.56818	Sterimol/B2: 2.57349	Sterimol/B3: 3.09383
Sterimol/B4: 9.34233	Sterimol/L: 18.8381

Surface and Volume Properties
Accessible surface: 627.915	Positive charged surface: 339.147	Negative charged surface: 288.767	Volume: 337.75
Hydrophobic surface: 554.136	Hydrophilic surface: 73.779

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.