MMsINC Database Search


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

MMsINC code: MMs01032344

Type: Neutral
Formula: C₂₃H₁₉FN₄O₃

SMILES:

Fc1ccc(NC(=O)CN2c3ncccc3C(=O)N(CCc3ccccc3)C2=O)cc1

InChI:

InChI=1/C23H19FN4O3/c24-17-8-10-18(11-9-17)26-20(29)15-28-21-19(7-4-13-25-21)22(30)27(23(28)31)14-12-16-5-2-1-3-6-16/h1-11,13H,12,14-15H2,(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7406 kcal/mol

Physical Properties
Molecular Weight: 418.428 g/mol	logS: -4.89982	SlogP: 3.48427	Reactive groups: 0

Topological Properties
Globularity: 0.0646384	Sterimol/B1: 2.99925	Sterimol/B2: 3.90739	Sterimol/B3: 4.01124
Sterimol/B4: 9.79139	Sterimol/L: 18.9571

Surface and Volume Properties
Accessible surface: 681.068	Positive charged surface: 397.715	Negative charged surface: 283.353	Volume: 379.625
Hydrophobic surface: 583.212	Hydrophilic surface: 97.856

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.