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MMsINC code: MMs02285229

Type: Neutral
Formula: C₁₉H₁₆N₂O₅

SMILES:

O=C1N(CC(=O)NC(Cc2ccccc2)C(O)=O)C(=O)c2c1cccc2

InChI:

InChI=1/C19H16N2O5/c22-16(20-15(19(25)26)10-12-6-2-1-3-7-12)11-21-17(23)13-8-4-5-9-14(13)18(21)24/h1-9,15H,10-11H2,(H,20,22)(H,25,26)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.451 kcal/mol

Physical Properties
Molecular Weight: 352.346 g/mol	logS: -3.93251	SlogP: 1.09467	Reactive groups: 0

Topological Properties
Globularity: 0.0850128	Sterimol/B1: 2.5572	Sterimol/B2: 3.55509	Sterimol/B3: 3.84327
Sterimol/B4: 9.024	Sterimol/L: 15.5196

Surface and Volume Properties
Accessible surface: 597.039	Positive charged surface: 321.421	Negative charged surface: 275.618	Volume: 320.125
Hydrophobic surface: 403.421	Hydrophilic surface: 193.618

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs02285230
NCID-ZINC01643987