MMsINC Database Search


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MMsINC code: MMs01462637

Type: Neutral
Formula: C₁₉H₂₁NO₇

SMILES:

O(C)c1cc(ccc1OC)C(OCC(=O)Nc1cc(OC)c(OC)cc1)=O

InChI:

InChI=1/C19H21NO7/c1-23-14-7-5-12(9-16(14)25-3)19(22)27-11-18(21)20-13-6-8-15(24-2)17(10-13)26-4/h5-10H,11H2,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.352 kcal/mol

Physical Properties
Molecular Weight: 375.377 g/mol	logS: -3.96456	SlogP: 2.5165	Reactive groups: 0

Topological Properties
Globularity: 0.0179498	Sterimol/B1: 1.969	Sterimol/B2: 2.74094	Sterimol/B3: 3.65862
Sterimol/B4: 7.61633	Sterimol/L: 19.2525

Surface and Volume Properties
Accessible surface: 673.395	Positive charged surface: 521.798	Negative charged surface: 151.597	Volume: 346.625
Hydrophobic surface: 553.496	Hydrophilic surface: 119.899

Pharmacophoric Properties
Hydrogen bond donors: 1	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.