MMsINC Database Search


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MMsINC code: MMs00021240

Type: Neutral
Formula: C₂₂H₁₈O₄

SMILES:

O(C(=O)c1ccccc1C(OCc1ccccc1)=O)Cc1ccccc1

InChI:

InChI=1/C22H18O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.4979 kcal/mol

Physical Properties
Molecular Weight: 346.382 g/mol	logS: -5.68414	SlogP: 4.9334	Reactive groups: 0

Topological Properties
Globularity: 0.058035	Sterimol/B1: 2.82521	Sterimol/B2: 2.95137	Sterimol/B3: 4.71252
Sterimol/B4: 8.09861	Sterimol/L: 19.2732

Surface and Volume Properties
Accessible surface: 646.848	Positive charged surface: 364.689	Negative charged surface: 282.159	Volume: 339.125
Hydrophobic surface: 585.401	Hydrophilic surface: 61.447

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.