MMsINC Database Search


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MMsINC code: MMs00116436

Type: Neutral
Formula: C₁₄H₂₆N₂O₅

SMILES:

O1CCN(CCOCCN(CC1)C(OCC)=O)C(=O)CC

InChI:

InChI=1/C14H26N2O5/c1-3-13(17)15-5-9-19-11-7-16(14(18)21-4-2)8-12-20-10-6-15/h3-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.4226 kcal/mol

Physical Properties
Molecular Weight: 302.371 g/mol	logS: -0.77098	SlogP: 0.7303	Reactive groups: 0

Topological Properties
Globularity: 0.290156	Sterimol/B1: 2.49658	Sterimol/B2: 2.57161	Sterimol/B3: 5.40644
Sterimol/B4: 8.11064	Sterimol/L: 11.967

Surface and Volume Properties
Accessible surface: 533.58	Positive charged surface: 435.957	Negative charged surface: 97.6234	Volume: 298.75
Hydrophobic surface: 426.708	Hydrophilic surface: 106.872

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.