MMsINC Database Search


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

MMsINC code: MMs02610959

Type: Neutral
Formula: C₂₃H₁₉FN₄

SMILES:

Fc1ccccc1-c1nc(nc(N(Cc2ccccc2)C)c1)-c1cccnc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7192 kcal/mol

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

Topological Properties
Globularity: 0.0867772	Sterimol/B1: 2.17391	Sterimol/B2: 2.65276	Sterimol/B3: 5.31623
Sterimol/B4: 11.108	Sterimol/L: 15.6379

Surface and Volume Properties
Accessible surface: 617.562	Positive charged surface: 374.634	Negative charged surface: 231.852	Volume: 362.625
Hydrophobic surface: 564.574	Hydrophilic surface: 52.988

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.