MMsINC Database Search


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MMsINC code: MMs00669947

Type: Neutral
Formula: C₂₃H₂₀O₄

SMILES:

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

InChI:

InChI=1/C23H20O4/c1-26-22(24)20-14-12-17(13-15-20)16-27-23(25)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.934 kcal/mol

Physical Properties
Molecular Weight: 360.409 g/mol	logS: -5.62017	SlogP: 4.6149	Reactive groups: 0

Topological Properties
Globularity: 0.0827412	Sterimol/B1: 3.09861	Sterimol/B2: 3.98595	Sterimol/B3: 4.63483
Sterimol/B4: 6.5183	Sterimol/L: 19.212

Surface and Volume Properties
Accessible surface: 659.9	Positive charged surface: 398.183	Negative charged surface: 261.718	Volume: 354.25
Hydrophobic surface: 589.401	Hydrophilic surface: 70.499

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.