MMsINC Database Search


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

MMsINC code: MMs02858422

Type: Neutral
Formula: C₁₅H₂₆N₂O

SMILES:

OCCNCCCCCCNCc1ccccc1

InChI:

InChI=1/C15H26N2O/c18-13-12-16-10-6-1-2-7-11-17-14-15-8-4-3-5-9-15/h3-5,8-9,16-18H,1-2,6-7,10-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.6201 kcal/mol

Physical Properties
Molecular Weight: 250.386 g/mol	logS: -1.49686	SlogP: 2.1849	Reactive groups: 0

Topological Properties
Globularity: 0.0318398	Sterimol/B1: 2.69743	Sterimol/B2: 3.14943	Sterimol/B3: 3.97803
Sterimol/B4: 4.27506	Sterimol/L: 20.6605

Surface and Volume Properties
Accessible surface: 589.561	Positive charged surface: 457.488	Negative charged surface: 132.073	Volume: 283.25
Hydrophobic surface: 499.858	Hydrophilic surface: 89.703

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs02858423
PUBCHEM-ZINC02029182