MMsINC Database Search


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MMsINC code: MMs03881928

Type: Neutral
Formula: C₁₅H₁₂N₂O₄

SMILES:

OC(=O)c1ccc(NC(=O)c2ccccc2C(=O)N)cc1

InChI:

InChI=1/C15H12N2O4/c16-13(18)11-3-1-2-4-12(11)14(19)17-10-7-5-9(6-8-10)15(20)21/h1-8H,(H2,16,18)(H,17,19)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.0654 kcal/mol

Physical Properties
Molecular Weight: 284.271 g/mol	logS: -3.57639	SlogP: 1.736	Reactive groups: 0

Topological Properties
Globularity: 0.0205837	Sterimol/B1: 2.78601	Sterimol/B2: 3.22276	Sterimol/B3: 3.41758
Sterimol/B4: 6.34621	Sterimol/L: 16.1405

Surface and Volume Properties
Accessible surface: 499.056	Positive charged surface: 280.565	Negative charged surface: 218.491	Volume: 253.5
Hydrophobic surface: 283.641	Hydrophilic surface: 215.415

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

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Ions/Tautomers related molecules

MMs03881929
PUBCHEM-ZINC06863703