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MMsINC code: MMs03956859

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O=C/1N(Cc2ccc(cc2)C)C(=O)N\C\1=C/c1ccc(cc1)C(O)=O

InChI:

InChI=1/C19H16N2O4/c1-12-2-4-14(5-3-12)11-21-17(22)16(20-19(21)25)10-13-6-8-15(9-7-13)18(23)24/h2-10H,11H2,1H3,(H,20,25)(H,23,24)/b16-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5338 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -4.58498	SlogP: 3.05252	Reactive groups: 0

Topological Properties
Globularity: 0.0639462	Sterimol/B1: 2.32774	Sterimol/B2: 3.07367	Sterimol/B3: 5.0674
Sterimol/B4: 7.98094	Sterimol/L: 15.6794

Surface and Volume Properties
Accessible surface: 575.991	Positive charged surface: 336.08	Negative charged surface: 239.911	Volume: 310.25
Hydrophobic surface: 383.88	Hydrophilic surface: 192.111

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03956860
VITASM-ZINC04689490