MMsINC Database Search


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MMsINC code: MMs00281293

Type: Neutral
Formula: C₂₂H₁₄O₄

SMILES:

O=C1c2c(cc(cc2)C(OCC(=O)c2ccccc2)=O)-c2c1cccc2

InChI:

InChI=1/C22H14O4/c23-20(14-6-2-1-3-7-14)13-26-22(25)15-10-11-18-19(12-15)16-8-4-5-9-17(16)21(18)24/h1-12H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.651 kcal/mol

Physical Properties
Molecular Weight: 342.35 g/mol	logS: -6.71955	SlogP: 3.9377	Reactive groups: 0

Topological Properties
Globularity: 0.00142599	Sterimol/B1: 2.37305	Sterimol/B2: 2.37704	Sterimol/B3: 3.84974
Sterimol/B4: 5.51387	Sterimol/L: 20.4342

Surface and Volume Properties
Accessible surface: 605.882	Positive charged surface: 299.516	Negative charged surface: 296.011	Volume: 323.875
Hydrophobic surface: 483.701	Hydrophilic surface: 122.181

Pharmacophoric Properties
Hydrogen bond donors: 0	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.