MMsINC Database Search


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MMsINC code: MMs02295883

Type: Neutral
Formula: C₂₄H₃₄N₄

SMILES:

N12CCN(CCN(CCN(CC1)Cc1ccccc1)CC2)Cc1ccccc1

InChI:

InChI=1/C24H34N4/c1-3-7-23(8-4-1)21-27-17-13-25-11-12-26(14-18-27)16-20-28(19-15-25)22-24-9-5-2-6-10-24/h1-10H,11-22H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=290.125 kcal/mol

Physical Properties
Molecular Weight: 378.564 g/mol	logS: -3.01558	SlogP: 3.1548	Reactive groups: 0

Topological Properties
Globularity: 0.188902	Sterimol/B1: 3.01915	Sterimol/B2: 4.28567	Sterimol/B3: 4.47316
Sterimol/B4: 7.1391	Sterimol/L: 17.1565

Surface and Volume Properties
Accessible surface: 615.917	Positive charged surface: 456.652	Negative charged surface: 159.266	Volume: 395.125
Hydrophobic surface: 600.848	Hydrophilic surface: 15.069

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

MMs02295884
NCID-ZINC01657808