MMsINC Database Search


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MMsINC code: MMs00748543

Type: Neutral
Formula: C₁₉H₁₆N₂O₅

SMILES:

O(CCOc1ccccc1)c1cc(ccc1)C=C1C(=O)NC(=O)NC1=O

InChI:

InChI=1/C19H16N2O5/c22-17-16(18(23)21-19(24)20-17)12-13-5-4-8-15(11-13)26-10-9-25-14-6-2-1-3-7-14/h1-8,11-12H,9-10H2,(H2,20,21,22,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.2269 kcal/mol

Physical Properties
Molecular Weight: 352.346 g/mol	logS: -4.7062	SlogP: 1.8938	Reactive groups: 0

Topological Properties
Globularity: 0.0377508	Sterimol/B1: 3.11176	Sterimol/B2: 3.50098	Sterimol/B3: 3.82796
Sterimol/B4: 5.85679	Sterimol/L: 20.1381

Surface and Volume Properties
Accessible surface: 609.592	Positive charged surface: 360.568	Negative charged surface: 249.024	Volume: 317.125
Hydrophobic surface: 416.32	Hydrophilic surface: 193.272

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.