MMsINC Database Search


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MMsINC code: MMs02357740

Type: Neutral
Formula: C₂₀H₁₄O₄

SMILES:

O(C(=O)c1ccccc1)c1cc(O)c(cc1)C(=O)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.098 kcal/mol

Physical Properties
Molecular Weight: 318.328 g/mol	logS: -5.2098	SlogP: 3.8424	Reactive groups: 0

Topological Properties
Globularity: 0.0435558	Sterimol/B1: 2.90322	Sterimol/B2: 3.42359	Sterimol/B3: 4.36537
Sterimol/B4: 5.58197	Sterimol/L: 18.8579

Surface and Volume Properties
Accessible surface: 573.026	Positive charged surface: 300.27	Negative charged surface: 272.756	Volume: 302.375
Hydrophobic surface: 468.997	Hydrophilic surface: 104.029

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.