MMsINC Database Search


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MMsINC code: MMs02651236

Type: Neutral
Formula: C₁₈H₂₄N₄

SMILES:

n1ccccc1N1CCN(CC1)Cc1ccc(N(C)C)cc1

InChI:

InChI=1/C18H24N4/c1-20(2)17-8-6-16(7-9-17)15-21-11-13-22(14-12-21)18-5-3-4-10-19-18/h3-10H,11-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.98 kcal/mol

Physical Properties
Molecular Weight: 296.418 g/mol	logS: -2.10745	SlogP: 2.7362	Reactive groups: 0

Topological Properties
Globularity: 0.082745	Sterimol/B1: 2.77749	Sterimol/B2: 3.24309	Sterimol/B3: 4.46635
Sterimol/B4: 6.59194	Sterimol/L: 17.079

Surface and Volume Properties
Accessible surface: 573.197	Positive charged surface: 458.634	Negative charged surface: 114.563	Volume: 314.125
Hydrophobic surface: 545.174	Hydrophilic surface: 28.023

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02651237
PUBCHEM-ZINC00294060