MMsINC Database Search


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

MMsINC code: MMs00071171

Type: Neutral
Formula: C₂₄H₁₉N₃

SMILES:

n1n(c(cc1-c1ccccc1)-c1c2c(n(c1)C)cccc2)-c1ccccc1

InChI:

InChI=1/C24H19N3/c1-26-17-21(20-14-8-9-15-23(20)26)24-16-22(18-10-4-2-5-11-18)25-27(24)19-12-6-3-7-13-19/h2-17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.834 kcal/mol

Physical Properties
Molecular Weight: 349.437 g/mol	logS: -6.51306	SlogP: 6.0572	Reactive groups: 0

Topological Properties
Globularity: 0.074626	Sterimol/B1: 2.48429	Sterimol/B2: 5.14862	Sterimol/B3: 5.83284
Sterimol/B4: 7.42928	Sterimol/L: 15.9497

Surface and Volume Properties
Accessible surface: 622.1	Positive charged surface: 356.72	Negative charged surface: 262.509	Volume: 356.625
Hydrophobic surface: 595.574	Hydrophilic surface: 26.526

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.