MMsINC Database Search


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

MMsINC code: MMs03465490

Type: Neutral
Formula: C₁₄H₁₉N

SMILES:

N(C)(C)C1C=C(CCC1)c1ccccc1

InChI:

InChI=1/C14H19N/c1-15(2)14-10-6-9-13(11-14)12-7-4-3-5-8-12/h3-5,7-8,11,14H,6,9-10H2,1-2H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.4305 kcal/mol

Physical Properties
Molecular Weight: 201.313 g/mol	logS: -2.51949	SlogP: 3.1841	Reactive groups: 0

Topological Properties
Globularity: 0.204935	Sterimol/B1: 2.19141	Sterimol/B2: 3.09262	Sterimol/B3: 4.20523
Sterimol/B4: 7.2036	Sterimol/L: 11.7218

Surface and Volume Properties
Accessible surface: 439.495	Positive charged surface: 330.76	Negative charged surface: 108.735	Volume: 228.375
Hydrophobic surface: 432.812	Hydrophilic surface: 6.683

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

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

MMs03465491
PUBCHEM-ZINC05965194