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MMsINC code: MMs01555821

Type: Neutral
Formula: C₁₉H₂₀O₅

SMILES:

O(C)c1cc(ccc1O)\C=C\C(OCCOc1ccc(cc1)C)=O

InChI:

InChI=1/C19H20O5/c1-14-3-7-16(8-4-14)23-11-12-24-19(21)10-6-15-5-9-17(20)18(13-15)22-2/h3-10,13,20H,11-12H2,1-2H3/b10-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.0748 kcal/mol

Physical Properties
Molecular Weight: 328.364 g/mol	logS: -4.2795	SlogP: 3.34462	Reactive groups: 0

Topological Properties
Globularity: 0.0228278	Sterimol/B1: 3.10306	Sterimol/B2: 3.33938	Sterimol/B3: 3.60775
Sterimol/B4: 6.18208	Sterimol/L: 21.1015

Surface and Volume Properties
Accessible surface: 639.437	Positive charged surface: 412.853	Negative charged surface: 226.584	Volume: 320.5
Hydrophobic surface: 534.934	Hydrophilic surface: 104.503

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.