MMsINC Database Search


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MMsINC code: MMs00779923

Type: Neutral
Formula: C₁₉H₂₄O₅

SMILES:

O(CCCOc1ccc(cc1OC)C)c1c(OC)cccc1OC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.582 kcal/mol

Physical Properties
Molecular Weight: 332.396 g/mol	logS: -4.10681	SlogP: 3.86872	Reactive groups: 0

Topological Properties
Globularity: 0.0870969	Sterimol/B1: 2.47245	Sterimol/B2: 5.9198	Sterimol/B3: 5.93934
Sterimol/B4: 7.42152	Sterimol/L: 18.144

Surface and Volume Properties
Accessible surface: 658.816	Positive charged surface: 507.236	Negative charged surface: 151.58	Volume: 335.625
Hydrophobic surface: 628.529	Hydrophilic surface: 30.287

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.