MMsINC Database Search


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MMsINC code: MMs02698009

Type: Neutral
Formula: C₂₂H₁₈O₄

SMILES:

O(C(=O)c1ccc(cc1)COC(=O)c1ccccc1C)c1ccccc1

InChI:

InChI=1/C22H18O4/c1-16-7-5-6-10-20(16)22(24)25-15-17-11-13-18(14-12-17)21(23)26-19-8-3-2-4-9-19/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.108 kcal/mol

Physical Properties
Molecular Weight: 346.382 g/mol	logS: -6.12249	SlogP: 4.83762	Reactive groups: 0

Topological Properties
Globularity: 0.0246763	Sterimol/B1: 2.85251	Sterimol/B2: 3.41681	Sterimol/B3: 4.0343
Sterimol/B4: 6.40493	Sterimol/L: 20.5587

Surface and Volume Properties
Accessible surface: 642.739	Positive charged surface: 362.478	Negative charged surface: 280.261	Volume: 337.625
Hydrophobic surface: 582.126	Hydrophilic surface: 60.613

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.