MMsINC Database Search


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

MMsINC code: MMs02398819

Type: Neutral
Formula: C₂₄H₂₆N₄

SMILES:

N(=C(\NCC)/c1ccc(cc1)/C(=N\c1ccccc1)/NCC)/c1ccccc1

InChI:

InChI=1/C24H26N4/c1-3-25-23(27-21-11-7-5-8-12-21)19-15-17-20(18-16-19)24(26-4-2)28-22-13-9-6-10-14-22/h5-18H,3-4H2,1-2H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.192 kcal/mol

Physical Properties
Molecular Weight: 370.5 g/mol	logS: -6.16882	SlogP: 5.0622	Reactive groups: 0

Topological Properties
Globularity: 0.051801	Sterimol/B1: 2.47273	Sterimol/B2: 2.79718	Sterimol/B3: 4.61499
Sterimol/B4: 7.21611	Sterimol/L: 20.4004

Surface and Volume Properties
Accessible surface: 698.386	Positive charged surface: 433.189	Negative charged surface: 265.197	Volume: 387.125
Hydrophobic surface: 618.263	Hydrophilic surface: 80.123

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.