MMsINC Database Search


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MMsINC code: MMs00157784

Type: Neutral
Formula: C₂₆H₂₂O₆

SMILES:

O(C(=O)c1cc(ccc1)C(Oc1ccc(cc1)C(=O)CC)=O)c1ccc(cc1)C(=O)CC

InChI:

InChI=1/C26H22O6/c1-3-23(27)17-8-12-21(13-9-17)31-25(29)19-6-5-7-20(16-19)26(30)32-22-14-10-18(11-15-22)24(28)4-2/h5-16H,3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.931 kcal/mol

Physical Properties
Molecular Weight: 430.456 g/mol	logS: -6.64108	SlogP: 5.3104	Reactive groups: 0

Topological Properties
Globularity: 0.024038	Sterimol/B1: 2.47874	Sterimol/B2: 3.74111	Sterimol/B3: 4.10412
Sterimol/B4: 8.70127	Sterimol/L: 25.3287

Surface and Volume Properties
Accessible surface: 771.295	Positive charged surface: 442.126	Negative charged surface: 329.17	Volume: 408.125
Hydrophobic surface: 600.749	Hydrophilic surface: 170.546

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.