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MMsINC code: MMs00511989

Type: Neutral
Formula: C₂₃H₂₅NO₅

SMILES:

o1cc(c2c1ccc(O)c2CN1CCCCC1)C(=O)c1cc(OC)ccc1OC

InChI:

InChI=1/C23H25NO5/c1-27-15-6-8-20(28-2)16(12-15)23(26)18-14-29-21-9-7-19(25)17(22(18)21)13-24-10-4-3-5-11-24/h6-9,12,14,25H,3-5,10-11,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.758 kcal/mol

Physical Properties
Molecular Weight: 395.455 g/mol	logS: -5.26743	SlogP: 4.6389	Reactive groups: 0

Topological Properties
Globularity: 0.258064	Sterimol/B1: 2.2256	Sterimol/B2: 4.3656	Sterimol/B3: 7.62145
Sterimol/B4: 7.78802	Sterimol/L: 13.7924

Surface and Volume Properties
Accessible surface: 620.839	Positive charged surface: 448.429	Negative charged surface: 171.11	Volume: 379.875
Hydrophobic surface: 544.419	Hydrophilic surface: 76.42

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

MMs00511990
CHEMBLOCK-ZINC01061860