MMsINC Database Search


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MMsINC code: MMs00840541

Type: Neutral
Formula: C₁₈H₁₆N₂O₄

SMILES:

O(C)c1ccccc1NC(=O)Cc1c2c([nH]c1C(O)=O)cccc2

InChI:

InChI=1/C18H16N2O4/c1-24-15-9-5-4-8-14(15)19-16(21)10-12-11-6-2-3-7-13(11)20-17(12)18(22)23/h2-9,20H,10H2,1H3,(H,19,21)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.5162 kcal/mol

Physical Properties
Molecular Weight: 324.336 g/mol	logS: -3.87894	SlogP: 3.05587	Reactive groups: 0

Topological Properties
Globularity: 0.119085	Sterimol/B1: 2.39179	Sterimol/B2: 3.84847	Sterimol/B3: 5.7819
Sterimol/B4: 7.63017	Sterimol/L: 15.0404

Surface and Volume Properties
Accessible surface: 567.962	Positive charged surface: 359.578	Negative charged surface: 205.507	Volume: 298
Hydrophobic surface: 422.189	Hydrophilic surface: 145.773

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

MMs00840542
CHEMDIV-ZINC00211644