MMsINC Database Search


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MMsINC code: MMs02283060

Type: Neutral
Formula: C₂₀H₁₄O₆

SMILES:

O(C(=O)c1ccccc1O)c1cc(OC(=O)c2ccccc2O)ccc1

InChI:

InChI=1/C20H14O6/c21-17-10-3-1-8-15(17)19(23)25-13-6-5-7-14(12-13)26-20(24)16-9-2-4-11-18(16)22/h1-12,21-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.109 kcal/mol

Physical Properties
Molecular Weight: 350.326 g/mol	logS: -4.8891	SlogP: 3.5362	Reactive groups: 0

Topological Properties
Globularity: 0.0801771	Sterimol/B1: 2.50597	Sterimol/B2: 3.26725	Sterimol/B3: 5.73021
Sterimol/B4: 7.09861	Sterimol/L: 17.9732

Surface and Volume Properties
Accessible surface: 610.626	Positive charged surface: 343.377	Negative charged surface: 267.25	Volume: 315.5
Hydrophobic surface: 478.832	Hydrophilic surface: 131.794

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.