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MMsINC code: MMs02973251

Type: Neutral
Formula: C₁₅H₂₅NO₅

SMILES:

O(CCOCCN(CCO)C)c1c(OC)cccc1OC

InChI:

InChI=1/C15H25NO5/c1-16(7-9-17)8-10-20-11-12-21-15-13(18-2)5-4-6-14(15)19-3/h4-6,17H,7-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.196 kcal/mol

Physical Properties
Molecular Weight: 299.367 g/mol	logS: -1.37401	SlogP: 1.0233	Reactive groups: 0

Topological Properties
Globularity: 0.081902	Sterimol/B1: 2.48015	Sterimol/B2: 4.2874	Sterimol/B3: 5.54732
Sterimol/B4: 6.05934	Sterimol/L: 14.83

Surface and Volume Properties
Accessible surface: 590.786	Positive charged surface: 521.243	Negative charged surface: 69.5423	Volume: 302.75
Hydrophobic surface: 530.634	Hydrophilic surface: 60.152

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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

MMs02973252
PUBCHEM-ZINC02981046