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MMsINC code: MMs00838579

Type: Neutral
Formula: C₁₈H₁₆N₂O₄

SMILES:

O(C)c1cc(NC(=O)Cc2c3c([nH]c2C(O)=O)cccc3)ccc1

InChI:

InChI=1/C18H16N2O4/c1-24-12-6-4-5-11(9-12)19-16(21)10-14-13-7-2-3-8-15(13)20-17(14)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)=71.5222 kcal/mol

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

Topological Properties
Globularity: 0.0790931	Sterimol/B1: 3.62609	Sterimol/B2: 4.00005	Sterimol/B3: 4.48981
Sterimol/B4: 7.13738	Sterimol/L: 16.6158

Surface and Volume Properties
Accessible surface: 565.487	Positive charged surface: 355.867	Negative charged surface: 206.268	Volume: 298.25
Hydrophobic surface: 409.358	Hydrophilic surface: 156.129

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

MMs00838580
CHEMDIV-ZINC00201504