MMsINC Database Search


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MMsINC code: MMs02185381

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

Oc1ccccc1\C=C/C(=O)c1cc(ccc1)C(=O)\C=C/c1ccccc1O

InChI:

InChI=1/C24H18O4/c25-21-10-3-1-6-17(21)12-14-23(27)19-8-5-9-20(16-19)24(28)15-13-18-7-2-4-11-22(18)26/h1-16,25-26H/b14-12-,15-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.498 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -5.81824	SlogP: 4.89	Reactive groups: 1

Topological Properties
Globularity: 0.092434	Sterimol/B1: 2.35573	Sterimol/B2: 3.46261	Sterimol/B3: 6.36895
Sterimol/B4: 7.89845	Sterimol/L: 15.6102

Surface and Volume Properties
Accessible surface: 645.798	Positive charged surface: 362.431	Negative charged surface: 283.367	Volume: 358.875
Hydrophobic surface: 525.948	Hydrophilic surface: 119.85

Pharmacophoric Properties
Hydrogen bond donors: 2	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.