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MMsINC code: MMs02513168

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

Oc1cc(ccc1O)\C=C/C(OCc1ccccc1)=O

InChI:

InChI=1/C16H14O4/c17-14-8-6-12(10-15(14)18)7-9-16(19)20-11-13-4-2-1-3-5-13/h1-10,17-18H,11H2/b9-7-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.1563 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -3.31643	SlogP: 3.1208	Reactive groups: 0

Topological Properties
Globularity: 0.063082	Sterimol/B1: 3.20396	Sterimol/B2: 3.34353	Sterimol/B3: 4.06908
Sterimol/B4: 4.72602	Sterimol/L: 15.8336

Surface and Volume Properties
Accessible surface: 515.786	Positive charged surface: 300.809	Negative charged surface: 214.977	Volume: 255
Hydrophobic surface: 393.298	Hydrophilic surface: 122.488

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.