MMsINC Database Search


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MMsINC code: MMs02842525

Type: Neutral
Formula: C₂₀H₂₈N₂

SMILES:

N(Cc1ccccc1)(Cc1ccccc1)CCN(CC)CC

InChI:

InChI=1/C20H28N2/c1-3-21(4-2)15-16-22(17-19-11-7-5-8-12-19)18-20-13-9-6-10-14-20/h5-14H,3-4,15-18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.6932 kcal/mol

Physical Properties
Molecular Weight: 296.458 g/mol	logS: -3.57654	SlogP: 4.5634	Reactive groups: 0

Topological Properties
Globularity: 0.130043	Sterimol/B1: 2.11483	Sterimol/B2: 3.23728	Sterimol/B3: 5.46186
Sterimol/B4: 8.65114	Sterimol/L: 14.6603

Surface and Volume Properties
Accessible surface: 570.289	Positive charged surface: 374.806	Negative charged surface: 195.483	Volume: 331.625
Hydrophobic surface: 511.616	Hydrophilic surface: 58.673

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

MMs02842526
PUBCHEM-ZINC02000194