MMsINC Database Search


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MMsINC code: MMs00101692

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O(C)c1ccccc1C(=O)NNC(=O)c1ccc2c(cccc2)c1O

InChI:

InChI=1/C19H16N2O4/c1-25-16-9-5-4-8-14(16)18(23)20-21-19(24)15-11-10-12-6-2-3-7-13(12)17(15)22/h2-11,22H,1H3,(H,20,23)(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.73 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -5.14971	SlogP: 2.6288	Reactive groups: 0

Topological Properties
Globularity: 0.00226546	Sterimol/B1: 2.37374	Sterimol/B2: 2.37502	Sterimol/B3: 2.54694
Sterimol/B4: 7.44013	Sterimol/L: 18.5281

Surface and Volume Properties
Accessible surface: 592.898	Positive charged surface: 347.484	Negative charged surface: 232.911	Volume: 310.5
Hydrophobic surface: 470.268	Hydrophilic surface: 122.63

Pharmacophoric Properties
Hydrogen bond donors: 3	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.