MMsINC Database Search


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MMsINC code: MMs00285649

Type: Neutral
Formula: C₂₃H₁₆O₃

SMILES:

O(C(=O)c1ccc(cc1)C)C=1c2c(cccc2)C(=O)C=1c1ccccc1

InChI:

InChI=1/C23H16O3/c1-15-11-13-17(14-12-15)23(25)26-22-19-10-6-5-9-18(19)21(24)20(22)16-7-3-2-4-8-16/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.951 kcal/mol

Physical Properties
Molecular Weight: 340.378 g/mol	logS: -6.71951	SlogP: 4.91662	Reactive groups: 1

Topological Properties
Globularity: 0.0892373	Sterimol/B1: 3.45376	Sterimol/B2: 3.79519	Sterimol/B3: 5.70742
Sterimol/B4: 7.95009	Sterimol/L: 15.4912

Surface and Volume Properties
Accessible surface: 604.388	Positive charged surface: 326.143	Negative charged surface: 278.245	Volume: 333.875
Hydrophobic surface: 542.329	Hydrophilic surface: 62.059

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.