MMsINC Database Search


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

MMsINC code: MMs03154299

Type: Neutral
Formula: C₁₉H₂₀FN₃O₂

SMILES:

Fc1ccc(cc1)-c1n(CCOC)c(nc1)NCc1ccccc1O

InChI:

InChI=1/C19H20FN3O2/c1-25-11-10-23-17(14-6-8-16(20)9-7-14)13-22-19(23)21-12-15-4-2-3-5-18(15)24/h2-9,13,24H,10-12H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.1406 kcal/mol

Physical Properties
Molecular Weight: 341.386 g/mol	logS: -4.52006	SlogP: 4.1861	Reactive groups: 0

Topological Properties
Globularity: 0.0597055	Sterimol/B1: 2.37789	Sterimol/B2: 3.85021	Sterimol/B3: 3.91467
Sterimol/B4: 8.94761	Sterimol/L: 17.6357

Surface and Volume Properties
Accessible surface: 613.029	Positive charged surface: 406.744	Negative charged surface: 206.286	Volume: 328
Hydrophobic surface: 528.543	Hydrophilic surface: 84.486

Pharmacophoric Properties
Hydrogen bond donors: 2	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.