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MMsINC code: MMs03232835

Type: Neutral
Formula: C₁₅H₂₃N

SMILES:

N(C(C)c1ccccc1)C(C(C)C)CC=C

InChI:

InChI=1/C15H23N/c1-5-9-15(12(2)3)16-13(4)14-10-7-6-8-11-14/h5-8,10-13,15-16H,1,9H2,2-4H3/t13-,15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.788 kcal/mol

Physical Properties
Molecular Weight: 217.356 g/mol	logS: -2.87494	SlogP: 4.0334	Reactive groups: 0

Topological Properties
Globularity: 0.23903	Sterimol/B1: 2.28079	Sterimol/B2: 3.74784	Sterimol/B3: 5.62311
Sterimol/B4: 5.62796	Sterimol/L: 12.2096

Surface and Volume Properties
Accessible surface: 465.346	Positive charged surface: 297.768	Negative charged surface: 167.578	Volume: 254.5
Hydrophobic surface: 375.897	Hydrophilic surface: 89.449

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03232836
PUBCHEM-ZINC05285016