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MMsINC code: MMs00838609

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O(C)c1ccc(cc1NC(=O)Cc1c2c([nH]c1C(O)=O)cccc2)C

InChI:

InChI=1/C19H18N2O4/c1-11-7-8-16(25-2)15(9-11)20-17(22)10-13-12-5-3-4-6-14(12)21-18(13)19(23)24/h3-9,21H,10H2,1-2H3,(H,20,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.0354 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.35286	SlogP: 3.36429	Reactive groups: 0

Topological Properties
Globularity: 0.160156	Sterimol/B1: 2.46801	Sterimol/B2: 2.49196	Sterimol/B3: 6.38222
Sterimol/B4: 7.77169	Sterimol/L: 14.7952

Surface and Volume Properties
Accessible surface: 594.253	Positive charged surface: 385.069	Negative charged surface: 205.739	Volume: 317
Hydrophobic surface: 447.014	Hydrophilic surface: 147.239

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00838610
CHEMDIV-ZINC00201562