MMsINC Database Search


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

MMsINC code: MMs01159575

Type: Neutral
Formula: C₂₀H₂₀FN₃O₂

SMILES:

Fc1ccc(cc1)-c1nn(c(c1)C(=O)NCCOC)-c1ccc(cc1)C

InChI:

InChI=1/C20H20FN3O2/c1-14-3-9-17(10-4-14)24-19(20(25)22-11-12-26-2)13-18(23-24)15-5-7-16(21)8-6-15/h3-10,13H,11-12H2,1-2H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.3091 kcal/mol

Physical Properties
Molecular Weight: 353.397 g/mol	logS: -5.14456	SlogP: 3.36302	Reactive groups: 0

Topological Properties
Globularity: 0.0420392	Sterimol/B1: 3.07158	Sterimol/B2: 3.3279	Sterimol/B3: 6.21859
Sterimol/B4: 9.10338	Sterimol/L: 15.0129

Surface and Volume Properties
Accessible surface: 646.033	Positive charged surface: 411.512	Negative charged surface: 234.522	Volume: 339
Hydrophobic surface: 591.503	Hydrophilic surface: 54.53

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.