MMsINC Database Search


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MMsINC code: MMs02877572

Type: Neutral
Formula: C₁₈H₂₆N₂+2

SMILES:

[n+]1(cc(C)c(cc1)C)CCCC[n+]1cc(C)c(cc1)C

InChI:

InChI=1/C18H26N2/c1-15-7-11-19(13-17(15)3)9-5-6-10-20-12-8-16(2)18(4)14-20/h7-8,11-14H,5-6,9-10H2,1-4H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1504 kcal/mol

Physical Properties
Molecular Weight: 270.42 g/mol	logS: -2.0745	SlogP: 3.50848	Reactive groups: 0

Topological Properties
Globularity: 0.0261425	Sterimol/B1: 2.71604	Sterimol/B2: 3.56166	Sterimol/B3: 3.62485
Sterimol/B4: 4.74111	Sterimol/L: 18.437

Surface and Volume Properties
Accessible surface: 581.004	Positive charged surface: 436.323	Negative charged surface: 144.682	Volume: 305.75
Hydrophobic surface: 517.103	Hydrophilic surface: 63.901

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.