MMsINC Database Search


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MMsINC code: MMs02339946

Type: Neutral
Formula: C₂₀H₂₀O₇

SMILES:

O1C=C(C(=O)c2c1c(OC)c(OC)c(OC)c2OC)c1ccc(OC)cc1

InChI:

InChI=1/C20H20O7/c1-22-12-8-6-11(7-9-12)13-10-27-17-14(15(13)21)16(23-2)18(24-3)20(26-5)19(17)25-4/h6-10H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.973 kcal/mol

Physical Properties
Molecular Weight: 372.373 g/mol	logS: -4.51118	SlogP: 3.3458	Reactive groups: 1

Topological Properties
Globularity: 0.0672757	Sterimol/B1: 2.83717	Sterimol/B2: 4.11767	Sterimol/B3: 5.06956
Sterimol/B4: 6.41967	Sterimol/L: 18.3627

Surface and Volume Properties
Accessible surface: 630.001	Positive charged surface: 505.638	Negative charged surface: 124.363	Volume: 343.375
Hydrophobic surface: 583.998	Hydrophilic surface: 46.003

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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.