MMsINC Database Search


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

MMsINC code: MMs00442066

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1cc(ccc1)C(=O)N1N(C2C(C1)COc1c2cccc1)c1ccccc1

InChI:

InChI=1/C23H19FN2O2/c24-18-8-6-7-16(13-18)23(27)25-14-17-15-28-21-12-5-4-11-20(21)22(17)26(25)19-9-2-1-3-10-19/h1-13,17,22H,14-15H2/t17-,22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=156.024 kcal/mol

Physical Properties
Molecular Weight: 374.415 g/mol	logS: -5.50902	SlogP: 4.5485	Reactive groups: 0

Topological Properties
Globularity: 0.181366	Sterimol/B1: 2.3842	Sterimol/B2: 3.96385	Sterimol/B3: 4.07769
Sterimol/B4: 9.44487	Sterimol/L: 14.7644

Surface and Volume Properties
Accessible surface: 585.508	Positive charged surface: 340.914	Negative charged surface: 244.595	Volume: 348.25
Hydrophobic surface: 557.904	Hydrophilic surface: 27.604

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.