MMsINC Database Search


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MMsINC code: MMs00794090

Type: Neutral
Formula: C₂₀H₁₄O₄

SMILES:

O1c2c(C(=O)c3c1cccc3)c(O)cc(OCc1ccccc1)c2

InChI:

InChI=1/C20H14O4/c21-16-10-14(23-12-13-6-2-1-3-7-13)11-18-19(16)20(22)15-8-4-5-9-17(15)24-18/h1-11,21H,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.9431 kcal/mol

Physical Properties
Molecular Weight: 318.328 g/mol	logS: -5.46297	SlogP: 4.5743	Reactive groups: 0

Topological Properties
Globularity: 0.0342598	Sterimol/B1: 3.55823	Sterimol/B2: 3.57697	Sterimol/B3: 3.63678
Sterimol/B4: 6.07343	Sterimol/L: 18.4322

Surface and Volume Properties
Accessible surface: 566.826	Positive charged surface: 317.692	Negative charged surface: 249.134	Volume: 296.75
Hydrophobic surface: 481.48	Hydrophilic surface: 85.346

Pharmacophoric Properties
Hydrogen bond donors: 1	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.