MMsINC Database Search


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MMsINC code: MMs00919921

Type: Neutral
Formula: C₁₉H₁₆N₂O₅

SMILES:

o1nc(cc1-c1cc(OC)ccc1)C(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C19H16N2O5/c1-24-13-7-5-6-12(10-13)17-11-16(21-26-17)18(22)20-15-9-4-3-8-14(15)19(23)25-2/h3-11H,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.943 kcal/mol

Physical Properties
Molecular Weight: 352.346 g/mol	logS: -4.98143	SlogP: 3.3891	Reactive groups: 0

Topological Properties
Globularity: 0.0111076	Sterimol/B1: 2.36753	Sterimol/B2: 3.06928	Sterimol/B3: 4.34686
Sterimol/B4: 6.66911	Sterimol/L: 18.8658

Surface and Volume Properties
Accessible surface: 612.552	Positive charged surface: 389.277	Negative charged surface: 223.275	Volume: 321.875
Hydrophobic surface: 509.182	Hydrophilic surface: 103.37

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.