MMsINC Database Search


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

MMsINC code: MMs02610864

Type: Neutral
Formula: C₂₃H₁₉FN₄

SMILES:

Fc1ccc(cc1)-c1nc(nc(N(Cc2ccccc2)C)c1)-c1cccnc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7813 kcal/mol

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

Topological Properties
Globularity: 0.0872593	Sterimol/B1: 2.08657	Sterimol/B2: 2.65495	Sterimol/B3: 5.3132
Sterimol/B4: 11.1187	Sterimol/L: 15.8927

Surface and Volume Properties
Accessible surface: 620.41	Positive charged surface: 363.196	Negative charged surface: 246.833	Volume: 361.75
Hydrophobic surface: 567.466	Hydrophilic surface: 52.944

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.