MMsINC Database Search


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MMsINC code: MMs02194499

Type: Neutral
Formula: C₁₄H₂₆N₂+2

SMILES:

[N+](Cc1ccc(cc1)C[N+](C)(C)C)(C)(C)C

InChI:

InChI=1/C14H26N2/c1-15(2,3)11-13-7-9-14(10-8-13)12-16(4,5)6/h7-10H,11-12H2,1-6H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.8098 kcal/mol

Physical Properties
Molecular Weight: 222.376 g/mol	logS: -0.86702	SlogP: 2.6318	Reactive groups: 0

Topological Properties
Globularity: 0.0838153	Sterimol/B1: 2.34009	Sterimol/B2: 2.42012	Sterimol/B3: 4.02699
Sterimol/B4: 4.81649	Sterimol/L: 14.4426

Surface and Volume Properties
Accessible surface: 469.375	Positive charged surface: 432.53	Negative charged surface: 36.845	Volume: 257.5
Hydrophobic surface: 353.768	Hydrophilic surface: 115.607

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.