MMsINC Database Search


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

MMsINC code: MMs02613432

Type: Neutral
Formula: C₂₄H₂₀N₄

SMILES:

n1c(cc(nc1-c1ncccc1)N1CCc2c(C1)cccc2)-c1ccccc1

InChI:

InChI=1/C24H20N4/c1-2-9-19(10-3-1)22-16-23(27-24(26-22)21-12-6-7-14-25-21)28-15-13-18-8-4-5-11-20(18)17-28/h1-12,14,16H,13,15,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.656 kcal/mol

Physical Properties
Molecular Weight: 364.452 g/mol	logS: -6.26968	SlogP: 5.03467	Reactive groups: 0

Topological Properties
Globularity: 0.0306165	Sterimol/B1: 2.45445	Sterimol/B2: 3.26101	Sterimol/B3: 3.44158
Sterimol/B4: 12.0278	Sterimol/L: 16.3395

Surface and Volume Properties
Accessible surface: 646.724	Positive charged surface: 386.931	Negative charged surface: 254.257	Volume: 363.5
Hydrophobic surface: 594.726	Hydrophilic surface: 51.998

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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.