MMsINC Database Search


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MMsINC code: MMs02996537

Type: Neutral
Formula: C₁₇H₂₆N₂

SMILES:

n1(CCCCCn2c(ccc2C)C)c(ccc1C)C

InChI:

InChI=1/C17H26N2/c1-14-8-9-15(2)18(14)12-6-5-7-13-19-16(3)10-11-17(19)4/h8-11H,5-7,12-13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.3452 kcal/mol

Physical Properties
Molecular Weight: 258.409 g/mol	logS: -1.71255	SlogP: 4.92658	Reactive groups: 0

Topological Properties
Globularity: 0.0611581	Sterimol/B1: 2.11026	Sterimol/B2: 3.11468	Sterimol/B3: 3.15008
Sterimol/B4: 7.18848	Sterimol/L: 15.1853

Surface and Volume Properties
Accessible surface: 559.974	Positive charged surface: 369.74	Negative charged surface: 190.234	Volume: 298
Hydrophobic surface: 542.111	Hydrophilic surface: 17.863

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: no related molecules available.