MMsINC Database Search


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MMsINC code: MMs01981155

Type: Neutral
Formula: C₁₉H₁₆N₂O₅

SMILES:

O=C1N(C(C(=O)Nc2ccccc2C(OC)=O)C)C(=O)c2c1cccc2

InChI:

InChI=1/C19H16N2O5/c1-11(21-17(23)12-7-3-4-8-13(12)18(21)24)16(22)20-15-10-6-5-9-14(15)19(25)26-2/h3-11H,1-2H3,(H,20,22)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5648 kcal/mol

Physical Properties
Molecular Weight: 352.346 g/mol	logS: -4.6401	SlogP: 2.0964	Reactive groups: 0

Topological Properties
Globularity: 0.0620968	Sterimol/B1: 2.30423	Sterimol/B2: 4.07959	Sterimol/B3: 4.3332
Sterimol/B4: 8.17935	Sterimol/L: 17.5903

Surface and Volume Properties
Accessible surface: 589.249	Positive charged surface: 357.017	Negative charged surface: 232.232	Volume: 317.375
Hydrophobic surface: 458.272	Hydrophilic surface: 130.977

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.