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MMsINC code: MMs01024501

Type: Neutral
Formula: C₂₄H₃₀N₂O₅

SMILES:

O1c2c(c3c(oc(C(=O)NCCCN4CCOCC4)c3C)cc2)C(=O)CC12CCCC2

InChI:

InChI=1/C24H30N2O5/c1-16-20-18(5-6-19-21(20)17(27)15-24(31-19)7-2-3-8-24)30-22(16)23(28)25-9-4-10-26-11-13-29-14-12-26/h5-6H,2-4,7-15H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.967 kcal/mol

Physical Properties
Molecular Weight: 426.513 g/mol	logS: -5.02284	SlogP: 3.47132	Reactive groups: 0

Topological Properties
Globularity: 0.0234889	Sterimol/B1: 1.99799	Sterimol/B2: 3.02373	Sterimol/B3: 4.68504
Sterimol/B4: 7.42696	Sterimol/L: 23.1685

Surface and Volume Properties
Accessible surface: 721.068	Positive charged surface: 557.221	Negative charged surface: 158.474	Volume: 407
Hydrophobic surface: 635.366	Hydrophilic surface: 85.702

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs01024502
CHEMDIV-ZINC06793661