MMsINC Database Search


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MMsINC code: MMs00669661

Type: Neutral
Formula: C₂₃H₁₈O₅

SMILES:

O(C(=O)c1ccccc1C(=O)c1ccccc1)Cc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C23H18O5/c1-27-22(25)18-13-11-16(12-14-18)15-28-23(26)20-10-6-5-9-19(20)21(24)17-7-3-2-4-8-17/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.238 kcal/mol

Physical Properties
Molecular Weight: 374.392 g/mol	logS: -5.98905	SlogP: 4.3276	Reactive groups: 0

Topological Properties
Globularity: 0.078332	Sterimol/B1: 2.8856	Sterimol/B2: 5.28596	Sterimol/B3: 5.37269
Sterimol/B4: 6.45598	Sterimol/L: 17.5896

Surface and Volume Properties
Accessible surface: 665.086	Positive charged surface: 390.303	Negative charged surface: 274.783	Volume: 358.25
Hydrophobic surface: 570.659	Hydrophilic surface: 94.427

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.