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MMsINC code: MMs01721924

Type: Neutral
Formula: C₁₈H₂₅NO₅

SMILES:

O(C)c1cccc(OC)c1C(OCC(=O)NC1CCCCCC1)=O

InChI:

InChI=1/C18H25NO5/c1-22-14-10-7-11-15(23-2)17(14)18(21)24-12-16(20)19-13-8-5-3-4-6-9-13/h7,10-11,13H,3-6,8-9,12H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.6359 kcal/mol

Physical Properties
Molecular Weight: 335.4 g/mol	logS: -4.0263	SlogP: 2.6996	Reactive groups: 0

Topological Properties
Globularity: 0.0659336	Sterimol/B1: 2.29429	Sterimol/B2: 3.77578	Sterimol/B3: 4.32929
Sterimol/B4: 9.52081	Sterimol/L: 17.3333

Surface and Volume Properties
Accessible surface: 632.903	Positive charged surface: 479.936	Negative charged surface: 152.967	Volume: 326.75
Hydrophobic surface: 545.808	Hydrophilic surface: 87.095

Pharmacophoric Properties
Hydrogen bond donors: 1	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.