MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02360766

Type: Neutral
Formula: C₁₆H₁₃NO₄

SMILES:

OC(=O)c1ccc(cc1)C(=O)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C16H13NO4/c1-10(18)17-14-8-6-12(7-9-14)15(19)11-2-4-13(5-3-11)16(20)21/h2-9H,1H3,(H,17,18)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6055 kcal/mol

Physical Properties
Molecular Weight: 283.283 g/mol	logS: -3.63654	SlogP: 2.5742	Reactive groups: 0

Topological Properties
Globularity: 0.0221472	Sterimol/B1: 2.94037	Sterimol/B2: 3.02464	Sterimol/B3: 3.26644
Sterimol/B4: 5.87156	Sterimol/L: 17.1009

Surface and Volume Properties
Accessible surface: 511.67	Positive charged surface: 279.571	Negative charged surface: 232.099	Volume: 260.125
Hydrophobic surface: 326.067	Hydrophilic surface: 185.603

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

search links for this molecule:

Ions/Tautomers related molecules

MMs02360767
NCID-ZINC01746159