MMsINC Database Search


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MMsINC code: MMs02262515

Type: Neutral
Formula: C₁₆H₁₄N₂O₄

SMILES:

O(C)c1cc(ccc1)C(=O)NC(=O)NC(=O)c1ccccc1

InChI:

InChI=1/C16H14N2O4/c1-22-13-9-5-8-12(10-13)15(20)18-16(21)17-14(19)11-6-3-2-4-7-11/h2-10H,1H3,(H2,17,18,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.2991 kcal/mol

Physical Properties
Molecular Weight: 298.298 g/mol	logS: -3.96513	SlogP: 1.975	Reactive groups: 0

Topological Properties
Globularity: 0.00178897	Sterimol/B1: 2.3747	Sterimol/B2: 2.3754	Sterimol/B3: 3.87284
Sterimol/B4: 4.51292	Sterimol/L: 19.1927

Surface and Volume Properties
Accessible surface: 540.65	Positive charged surface: 310.105	Negative charged surface: 230.545	Volume: 274
Hydrophobic surface: 411.656	Hydrophilic surface: 128.994

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.