MMsINC Database Search


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MMsINC code: MMs02417655

Type: Neutral
Formula: C₁₈H₁₈O₇

SMILES:

O1c2c(ccc(OC)c2)C(=O)C(O)(O)C1(OC)c1ccc(OC)cc1

InChI:

InChI=1/C18H18O7/c1-22-12-6-4-11(5-7-12)18(24-3)17(20,21)16(19)14-9-8-13(23-2)10-15(14)25-18/h4-10,20-21H,1-3H3/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.938 kcal/mol

Physical Properties
Molecular Weight: 346.335 g/mol	logS: -3.60715	SlogP: 1.7707	Reactive groups: 0

Topological Properties
Globularity: 0.0897967	Sterimol/B1: 3.12061	Sterimol/B2: 3.86928	Sterimol/B3: 5.01814
Sterimol/B4: 5.86394	Sterimol/L: 17.6544

Surface and Volume Properties
Accessible surface: 566.413	Positive charged surface: 411.068	Negative charged surface: 155.345	Volume: 309.75
Hydrophobic surface: 442.971	Hydrophilic surface: 123.442

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 7	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.