MMsINC Database Search


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MMsINC code: MMs01521379

Type: Neutral
Formula: C₂₄H₁₈O₆

SMILES:

O(C(=O)c1ccc(cc1)C(OCC(=O)c1ccccc1)=O)CC(=O)c1ccccc1

InChI:

InChI=1/C24H18O6/c25-21(17-7-3-1-4-8-17)15-29-23(27)19-11-13-20(14-12-19)24(28)30-16-22(26)18-9-5-2-6-10-18/h1-14H,15-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.485 kcal/mol

Physical Properties
Molecular Weight: 402.402 g/mol	logS: -6.34684	SlogP: 3.766	Reactive groups: 0

Topological Properties
Globularity: 0.00156697	Sterimol/B1: 2.37453	Sterimol/B2: 2.37556	Sterimol/B3: 3.58119
Sterimol/B4: 6.6683	Sterimol/L: 24.6539

Surface and Volume Properties
Accessible surface: 713.093	Positive charged surface: 371.669	Negative charged surface: 341.424	Volume: 375
Hydrophobic surface: 562.79	Hydrophilic surface: 150.303

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.