MMsINC Database Search


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MMsINC code: MMs00778295

Type: Neutral
Formula: C₁₉H₂₄O₅

SMILES:

O(CCOc1ccccc1OC(C)C)c1c(OC)cccc1OC

InChI:

InChI=1/C19H24O5/c1-14(2)24-16-9-6-5-8-15(16)22-12-13-23-19-17(20-3)10-7-11-18(19)21-4/h5-11,14H,12-13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.788 kcal/mol

Physical Properties
Molecular Weight: 332.396 g/mol	logS: -4.08554	SlogP: 3.9488	Reactive groups: 0

Topological Properties
Globularity: 0.0489089	Sterimol/B1: 2.32548	Sterimol/B2: 2.78381	Sterimol/B3: 4.54525
Sterimol/B4: 8.71363	Sterimol/L: 15.1574

Surface and Volume Properties
Accessible surface: 625.141	Positive charged surface: 468.438	Negative charged surface: 156.703	Volume: 333.625
Hydrophobic surface: 569.83	Hydrophilic surface: 55.311

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.