MMsINC Database Search


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MMsINC code: MMs00738931

Type: Neutral
Formula: C₂₃H₃₆N₂+2

SMILES:

[N+](Cc1ccccc1)(CCCCC[N+](Cc1ccccc1)(C)C)(C)C

InChI:

InChI=1/C23H36N2/c1-24(2,20-22-14-8-5-9-15-22)18-12-7-13-19-25(3,4)21-23-16-10-6-11-17-23/h5-6,8-11,14-17H,7,12-13,18-21H2,1-4H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.722 kcal/mol

Physical Properties
Molecular Weight: 340.555 g/mol	logS: -3.26667	SlogP: 5.2427	Reactive groups: 0

Topological Properties
Globularity: 0.0428021	Sterimol/B1: 2.41854	Sterimol/B2: 2.87939	Sterimol/B3: 3.81107
Sterimol/B4: 4.81758	Sterimol/L: 21.5036

Surface and Volume Properties
Accessible surface: 662.621	Positive charged surface: 503.9	Negative charged surface: 158.721	Volume: 386.875
Hydrophobic surface: 586.784	Hydrophilic surface: 75.837

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
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

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Ions/Tautomers related molecules: no related molecules available.