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MMsINC code: MMs03889477

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O=C/1N(CCc2ccccc2)C(=O)N\C\1=C\c1ccc(cc1)C(O)=O

InChI:

InChI=1/C19H16N2O4/c22-17-16(12-14-6-8-15(9-7-14)18(23)24)20-19(25)21(17)11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,25)(H,23,24)/b16-12-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.9355 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -4.17253	SlogP: 2.52017	Reactive groups: 0

Topological Properties
Globularity: 0.0156797	Sterimol/B1: 2.57593	Sterimol/B2: 3.22458	Sterimol/B3: 3.78225
Sterimol/B4: 4.31066	Sterimol/L: 20.5082

Surface and Volume Properties
Accessible surface: 585.944	Positive charged surface: 322.142	Negative charged surface: 263.803	Volume: 310.125
Hydrophobic surface: 395.967	Hydrophilic surface: 189.977

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

MMs03889478
PUBCHEM-ZINC06885121