MMsINC Database Search


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MMsINC code: MMs02303753

Type: Neutral
Formula: C₁₇H₂₄N₂+2

SMILES:

[n+]1(ccccc1C)CCCCC[n+]1ccccc1C

InChI:

InChI=1/C17H24N2/c1-16-10-4-8-14-18(16)12-6-3-7-13-19-15-9-5-11-17(19)2/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3413 kcal/mol

Physical Properties
Molecular Weight: 256.393 g/mol	logS: -1.63427	SlogP: 3.28174	Reactive groups: 0

Topological Properties
Globularity: 0.0685016	Sterimol/B1: 2.28028	Sterimol/B2: 3.13702	Sterimol/B3: 3.55947
Sterimol/B4: 6.3551	Sterimol/L: 16.5369

Surface and Volume Properties
Accessible surface: 538.633	Positive charged surface: 382.287	Negative charged surface: 156.346	Volume: 285.875
Hydrophobic surface: 490.082	Hydrophilic surface: 48.551

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.