MMsINC Database Search


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MMsINC code: MMs01616268

Type: Neutral
Formula: C₁₉H₂₂O₇

SMILES:

O(C(=O)Cc1cc(OC)c(OC)c(OC)c1)c1c(OC)cccc1OC

InChI:

InChI=1/C19H22O7/c1-21-13-7-6-8-14(22-2)19(13)26-17(20)11-12-9-15(23-3)18(25-5)16(10-12)24-4/h6-10H,11H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.634 kcal/mol

Physical Properties
Molecular Weight: 362.378 g/mol	logS: -3.81231	SlogP: 2.87767	Reactive groups: 0

Topological Properties
Globularity: 0.0585145	Sterimol/B1: 2.35357	Sterimol/B2: 3.39911	Sterimol/B3: 3.8187
Sterimol/B4: 9.50723	Sterimol/L: 16.1838

Surface and Volume Properties
Accessible surface: 665.798	Positive charged surface: 549.912	Negative charged surface: 115.885	Volume: 342
Hydrophobic surface: 609.25	Hydrophilic surface: 56.548

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.