MMsINC Database Search


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

MMsINC code: MMs01020266

Type: Neutral
Formula: C₂₂H₁₇FN₂O₃

SMILES:

Fc1ccccc1NC(=O)c1c2c(CN(C2=O)c2ccc(OC)cc2)ccc1

InChI:

InChI=1/C22H17FN2O3/c1-28-16-11-9-15(10-12-16)25-13-14-5-4-6-17(20(14)22(25)27)21(26)24-19-8-3-2-7-18(19)23/h2-12H,13H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.558 kcal/mol

Physical Properties
Molecular Weight: 376.387 g/mol	logS: -5.68663	SlogP: 4.5134	Reactive groups: 0

Topological Properties
Globularity: 0.0110023	Sterimol/B1: 2.61927	Sterimol/B2: 2.89144	Sterimol/B3: 3.58733
Sterimol/B4: 8.28159	Sterimol/L: 19.0021

Surface and Volume Properties
Accessible surface: 616.518	Positive charged surface: 369.785	Negative charged surface: 246.733	Volume: 342.875
Hydrophobic surface: 555.662	Hydrophilic surface: 60.856

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.