MMsINC Database Search


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MMsINC code: MMs02303751

Type: Neutral
Formula: C₁₇H₂₄N₂+2

SMILES:

[n+]1(ccc(cc1)C)CCCCC[n+]1ccc(cc1)C

InChI:

InChI=1/C17H24N2/c1-16-6-12-18(13-7-16)10-4-3-5-11-19-14-8-17(2)9-15-19/h6-9,12-15H,3-5,10-11H2,1-2H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.1432 kcal/mol

Physical Properties
Molecular Weight: 256.393 g/mol	logS: -1.95533	SlogP: 3.28174	Reactive groups: 0

Topological Properties
Globularity: 0.0601816	Sterimol/B1: 2.11964	Sterimol/B2: 3.62021	Sterimol/B3: 3.62503
Sterimol/B4: 5.40917	Sterimol/L: 19.0636

Surface and Volume Properties
Accessible surface: 575.001	Positive charged surface: 434.845	Negative charged surface: 140.156	Volume: 289.875
Hydrophobic surface: 505.399	Hydrophilic surface: 69.602

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.