MMsINC Database Search


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MMsINC code: MMs01240611

Type: Neutral
Formula: C₂₂H₁₈O₄

SMILES:

O1c2cc(ccc2OC1)COC(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H18O4/c23-22(24-14-16-11-12-19-20(13-16)26-15-25-19)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,21H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.521 kcal/mol

Physical Properties
Molecular Weight: 346.382 g/mol	logS: -5.19354	SlogP: 4.557	Reactive groups: 0

Topological Properties
Globularity: 0.102917	Sterimol/B1: 2.54537	Sterimol/B2: 3.97747	Sterimol/B3: 4.13274
Sterimol/B4: 8.15599	Sterimol/L: 17.2652

Surface and Volume Properties
Accessible surface: 621.229	Positive charged surface: 368.848	Negative charged surface: 252.381	Volume: 335.25
Hydrophobic surface: 534.791	Hydrophilic surface: 86.438

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.