MMsINC Database Search


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MMsINC code: MMs01074884

Type: Neutral
Formula: C₂₀H₁₄O₄

SMILES:

O(C(=O)c1ccccc1)c1ccccc1C(Oc1ccccc1)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.959 kcal/mol

Physical Properties
Molecular Weight: 318.328 g/mol	logS: -5.613	SlogP: 4.125	Reactive groups: 0

Topological Properties
Globularity: 0.13845	Sterimol/B1: 2.70036	Sterimol/B2: 3.62011	Sterimol/B3: 3.95737
Sterimol/B4: 9.9014	Sterimol/L: 13.1087

Surface and Volume Properties
Accessible surface: 582.608	Positive charged surface: 307.687	Negative charged surface: 274.921	Volume: 301.25
Hydrophobic surface: 543.867	Hydrophilic surface: 38.741

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.