MMsINC Database Search


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MMsINC code: MMs02840691

Type: Neutral
Formula: C₁₅H₂₅N₂+

SMILES:

[N+](CCCN1CCc2c(C1)cccc2)(C)(C)C

InChI:

InChI=1/C15H25N2/c1-17(2,3)12-6-10-16-11-9-14-7-4-5-8-15(14)13-16/h4-5,7-8H,6,9-13H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5281 kcal/mol

Physical Properties
Molecular Weight: 233.379 g/mol	logS: -1.40948	SlogP: 2.40737	Reactive groups: 0

Topological Properties
Globularity: 0.068253	Sterimol/B1: 1.969	Sterimol/B2: 4.46019	Sterimol/B3: 4.73595
Sterimol/B4: 4.81888	Sterimol/L: 15.2581

Surface and Volume Properties
Accessible surface: 495.988	Positive charged surface: 410.396	Negative charged surface: 85.5921	Volume: 265.375
Hydrophobic surface: 435.178	Hydrophilic surface: 60.81

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 1
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

MMs02840692
PUBCHEM-ZINC01998279