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MMsINC code: MMs03271800

Type: Neutral
Formula: C₁₉H₁₅NO₆

SMILES:

O1c2cc(ccc2OC1)C1NC(=O)C(=O)C1C(=O)c1ccc(OC)cc1

InChI:

InChI=1/C19H15NO6/c1-24-12-5-2-10(3-6-12)17(21)15-16(20-19(23)18(15)22)11-4-7-13-14(8-11)26-9-25-13/h2-8,15-16H,9H2,1H3,(H,20,23)/t15-,16+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3633 kcal/mol

Physical Properties
Molecular Weight: 353.33 g/mol	logS: -3.87241	SlogP: 1.7585	Reactive groups: 0

Topological Properties
Globularity: 0.128289	Sterimol/B1: 2.8711	Sterimol/B2: 3.69191	Sterimol/B3: 5.26819
Sterimol/B4: 8.45888	Sterimol/L: 15.5541

Surface and Volume Properties
Accessible surface: 573.877	Positive charged surface: 342.504	Negative charged surface: 231.373	Volume: 311.375
Hydrophobic surface: 373.754	Hydrophilic surface: 200.123

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03271801
PUBCHEM-ZINC05445689