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MMsINC code: MMs01735684

Type: Neutral
Formula: C₁₅H₁₄N₂O₄

SMILES:

O(C)c1ccccc1NC(=O)Nc1ccc(cc1)C(O)=O

InChI:

InChI=1/C15H14N2O4/c1-21-13-5-3-2-4-12(13)17-15(20)16-11-8-6-10(7-9-11)14(18)19/h2-9H,1H3,(H,18,19)(H2,16,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1079 kcal/mol

Physical Properties
Molecular Weight: 286.287 g/mol	logS: -3.27183	SlogP: 3.0374	Reactive groups: 0

Topological Properties
Globularity: 0.0147424	Sterimol/B1: 2.47219	Sterimol/B2: 2.57229	Sterimol/B3: 3.03363
Sterimol/B4: 7.01078	Sterimol/L: 16.3273

Surface and Volume Properties
Accessible surface: 523.346	Positive charged surface: 330.898	Negative charged surface: 192.448	Volume: 262.625
Hydrophobic surface: 364.98	Hydrophilic surface: 158.366

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

search links for this molecule:

Ions/Tautomers related molecules

MMs01735685
IBS-ZINC00397450