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MMsINC code: MMs01945637

Type: Neutral
Formula: C₂₄H₂₇NO₅

SMILES:

O\1c2c(ccc(O)c2CN(CCOC)CCOC)C(=O)/C/1=C\C=C\c1ccccc1

InChI:

InChI=1/C24H27NO5/c1-28-15-13-25(14-16-29-2)17-20-21(26)12-11-19-23(27)22(30-24(19)20)10-6-9-18-7-4-3-5-8-18/h3-12,26H,13-17H2,1-2H3/b9-6+,22-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.617 kcal/mol

Physical Properties
Molecular Weight: 409.482 g/mol	logS: -5.16254	SlogP: 3.9258	Reactive groups: 1

Topological Properties
Globularity: 0.139873	Sterimol/B1: 2.18331	Sterimol/B2: 3.28102	Sterimol/B3: 7.48125
Sterimol/B4: 8.26327	Sterimol/L: 18.3766

Surface and Volume Properties
Accessible surface: 718.333	Positive charged surface: 508.719	Negative charged surface: 209.614	Volume: 408.625
Hydrophobic surface: 635.828	Hydrophilic surface: 82.505

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

MMs01945638
IBS-ZINC05399385