MMsINC Database Search


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

MMsINC code: MMs02610883

Type: Neutral
Formula: C₂₃H₁₉FN₄

SMILES:

Fc1ccc(cc1)-c1nc(nc(N(Cc2ccccc2)C)c1)-c1ccncc1

InChI:

InChI=1/C23H19FN4/c1-28(16-17-5-3-2-4-6-17)22-15-21(18-7-9-20(24)10-8-18)26-23(27-22)19-11-13-25-14-12-19/h2-15H,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5034 kcal/mol

Physical Properties
Molecular Weight: 370.431 g/mol	logS: -6.41199	SlogP: 5.2475	Reactive groups: 0

Topological Properties
Globularity: 0.0875901	Sterimol/B1: 2.00493	Sterimol/B2: 2.63897	Sterimol/B3: 5.34764
Sterimol/B4: 10.494	Sterimol/L: 15.9008

Surface and Volume Properties
Accessible surface: 620.633	Positive charged surface: 372.59	Negative charged surface: 237.912	Volume: 362.5
Hydrophobic surface: 567.84	Hydrophilic surface: 52.793

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.