MMsINC Database Search


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MMsINC code: MMs00606549

Type: Neutral
Formula: C₁₉H₁₆O₆

SMILES:

o1c2c(cc(OC(=O)c3ccccc3OC)cc2)c(C(OC)=O)c1C

InChI:

InChI=1/C19H16O6/c1-11-17(19(21)23-3)14-10-12(8-9-16(14)24-11)25-18(20)13-6-4-5-7-15(13)22-2/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.338 kcal/mol

Physical Properties
Molecular Weight: 340.331 g/mol	logS: -5.68977	SlogP: 3.75562	Reactive groups: 0

Topological Properties
Globularity: 0.115033	Sterimol/B1: 4.09496	Sterimol/B2: 5.28019	Sterimol/B3: 5.39455
Sterimol/B4: 5.76947	Sterimol/L: 16.3754

Surface and Volume Properties
Accessible surface: 610.629	Positive charged surface: 391.213	Negative charged surface: 213.548	Volume: 312.5
Hydrophobic surface: 533.087	Hydrophilic surface: 77.542

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.