MMsINC Database Search


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

MMsINC code: MMs00709560

Type: Neutral
Formula: C₁₅H₂₆N₂

SMILES:

N(C(CCc1ccccc1)C)(CCN(C)C)C

InChI:

InChI=1/C15H26N2/c1-14(17(4)13-12-16(2)3)10-11-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.3958 kcal/mol

Physical Properties
Molecular Weight: 234.387 g/mol	logS: -1.74467	SlogP: 2.50107	Reactive groups: 0

Topological Properties
Globularity: 0.111073	Sterimol/B1: 2.29253	Sterimol/B2: 3.12792	Sterimol/B3: 4.28911
Sterimol/B4: 6.71933	Sterimol/L: 16.2773

Surface and Volume Properties
Accessible surface: 515.951	Positive charged surface: 400.669	Negative charged surface: 115.283	Volume: 274.875
Hydrophobic surface: 493.351	Hydrophilic surface: 22.6

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs00709561
CHEMBRIDGE-ZINC02464153