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MMsINC code: MMs01732825

Type: Neutral
Formula: C₁₇H₂₇N₃

SMILES:

N1(CCN(CC1)C)C1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C17H27N3/c1-18-11-13-20(14-12-18)17-7-9-19(10-8-17)15-16-5-3-2-4-6-16/h2-6,17H,7-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5966 kcal/mol

Physical Properties
Molecular Weight: 273.424 g/mol	logS: -1.75333	SlogP: 2.1648	Reactive groups: 0

Topological Properties
Globularity: 0.0684124	Sterimol/B1: 3.14037	Sterimol/B2: 3.60657	Sterimol/B3: 3.88825
Sterimol/B4: 5.36854	Sterimol/L: 16.6667

Surface and Volume Properties
Accessible surface: 540.438	Positive charged surface: 448.4	Negative charged surface: 92.0375	Volume: 296.375
Hydrophobic surface: 529.644	Hydrophilic surface: 10.794

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
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

MMs01732827
IBS-ZINC00221466