MMsINC Database Search


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MMsINC code: MMs01461641

Type: Neutral
Formula: C₁₉H₂₀O₇

SMILES:

O(C)c1cc(OC)ccc1C(=O)COC(=O)COc1ccc(OC)cc1

InChI:

InChI=1/C19H20O7/c1-22-13-4-6-14(7-5-13)25-12-19(21)26-11-17(20)16-9-8-15(23-2)10-18(16)24-3/h4-10H,11-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.484 kcal/mol

Physical Properties
Molecular Weight: 360.362 g/mol	logS: -4.09382	SlogP: 2.5173	Reactive groups: 1

Topological Properties
Globularity: 0.00504772	Sterimol/B1: 2.37628	Sterimol/B2: 2.38597	Sterimol/B3: 4.76395
Sterimol/B4: 5.85248	Sterimol/L: 22.3318

Surface and Volume Properties
Accessible surface: 657.221	Positive charged surface: 471.222	Negative charged surface: 185.998	Volume: 334.75
Hydrophobic surface: 548.859	Hydrophilic surface: 108.362

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.