MMsINC Database Search


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MMsINC code: MMs00012145

Type: Neutral
Formula: C₁₄H₂₃N

SMILES:

N(CCCC)(CCCC)c1ccccc1

InChI:

InChI=1/C14H23N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.2923 kcal/mol

Physical Properties
Molecular Weight: 205.345 g/mol	logS: -3.40069	SlogP: 4.0932	Reactive groups: 0

Topological Properties
Globularity: 0.0983385	Sterimol/B1: 2.18427	Sterimol/B2: 2.45331	Sterimol/B3: 3.56833
Sterimol/B4: 8.73537	Sterimol/L: 13.5278

Surface and Volume Properties
Accessible surface: 489.584	Positive charged surface: 342.126	Negative charged surface: 147.458	Volume: 243.625
Hydrophobic surface: 433.317	Hydrophilic surface: 56.267

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.