MMsINC Database Search


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

MMsINC code: MMs02857972

Type: Neutral
Formula: C₁₄H₂₃N

SMILES:

N(C(C)c1ccccc1)CCCCCC

InChI:

InChI=1/C14H23N/c1-3-4-5-9-12-15-13(2)14-10-7-6-8-11-14/h6-8,10-11,13,15H,3-5,9,12H2,1-2H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.9957 kcal/mol

Physical Properties
Molecular Weight: 205.345 g/mol	logS: -3.52723	SlogP: 4.013	Reactive groups: 0

Topological Properties
Globularity: 0.0581232	Sterimol/B1: 3.24859	Sterimol/B2: 3.42902	Sterimol/B3: 3.58365
Sterimol/B4: 4.87	Sterimol/L: 16.8493

Surface and Volume Properties
Accessible surface: 496.767	Positive charged surface: 351.515	Negative charged surface: 145.252	Volume: 246.375
Hydrophobic surface: 443.274	Hydrophilic surface: 53.493

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02857973
PUBCHEM-ZINC02027701