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MMsINC code: MMs00835185

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

O(CC)c1ccc(NC(=O)c2ccccc2C(O)=O)cc1

InChI:

InChI=1/C16H15NO4/c1-2-21-12-9-7-11(8-10-12)17-15(18)13-5-3-4-6-14(13)16(19)20/h3-10H,2H2,1H3,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.1188 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.70186	SlogP: 3.0358	Reactive groups: 0

Topological Properties
Globularity: 0.055343	Sterimol/B1: 2.74382	Sterimol/B2: 4.40614	Sterimol/B3: 4.52239
Sterimol/B4: 4.8953	Sterimol/L: 17.1415

Surface and Volume Properties
Accessible surface: 530.723	Positive charged surface: 325.175	Negative charged surface: 205.549	Volume: 267
Hydrophobic surface: 390.348	Hydrophilic surface: 140.375

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

MMs00835186
CHEMDIV-ZINC00168161