MMsINC Database Search


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MMsINC code: MMs00703771

Type: Neutral
Formula: C₁₉H₂₆N₂O₂

SMILES:

O1CCN(CC1)CCNCc1c2c(ccc1OCC)cccc2

InChI:

InChI=1/C19H26N2O2/c1-2-23-19-8-7-16-5-3-4-6-17(16)18(19)15-20-9-10-21-11-13-22-14-12-21/h3-8,20H,2,9-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6046 kcal/mol

Physical Properties
Molecular Weight: 314.429 g/mol	logS: -3.57022	SlogP: 2.9267	Reactive groups: 0

Topological Properties
Globularity: 0.0558221	Sterimol/B1: 2.40941	Sterimol/B2: 3.24486	Sterimol/B3: 3.54993
Sterimol/B4: 10.7286	Sterimol/L: 15.9106

Surface and Volume Properties
Accessible surface: 610.449	Positive charged surface: 457.648	Negative charged surface: 141.98	Volume: 326.125
Hydrophobic surface: 554.918	Hydrophilic surface: 55.531

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

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Ions/Tautomers related molecules

MMs00703772
CHEMBRIDGE-ZINC02181920