MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03024298

Type: Neutral
Formula: C₁₄H₂₁N

SMILES:

N(C)(C)C1(CCCC1)Cc1ccccc1

InChI:

InChI=1/C14H21N/c1-15(2)14(10-6-7-11-14)12-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.023 kcal/mol

Physical Properties
Molecular Weight: 203.329 g/mol	logS: -2.27372	SlogP: 3.10347	Reactive groups: 0

Topological Properties
Globularity: 0.222753	Sterimol/B1: 2.39843	Sterimol/B2: 3.10879	Sterimol/B3: 4.1852
Sterimol/B4: 6.78068	Sterimol/L: 11.9324

Surface and Volume Properties
Accessible surface: 420.86	Positive charged surface: 304.877	Negative charged surface: 115.983	Volume: 230.625
Hydrophobic surface: 420.86	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

search links for this molecule:

Ions/Tautomers related molecules

MMs03024299
PUBCHEM-ZINC03621195