MMsINC Database Search


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MMsINC code: MMs01499385

Type: Neutral
Formula: C₁₆H₁₄N₂O₄

SMILES:

O(C(=O)c1ccccc1NC(=O)c1ccccc1)CC(=O)N

InChI:

InChI=1/C16H14N2O4/c17-14(19)10-22-16(21)12-8-4-5-9-13(12)18-15(20)11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2578 kcal/mol

Physical Properties
Molecular Weight: 298.298 g/mol	logS: -4.01516	SlogP: 1.581	Reactive groups: 0

Topological Properties
Globularity: 0.0189756	Sterimol/B1: 2.61784	Sterimol/B2: 2.71104	Sterimol/B3: 2.80452
Sterimol/B4: 8.9254	Sterimol/L: 15.6038

Surface and Volume Properties
Accessible surface: 533.494	Positive charged surface: 311.891	Negative charged surface: 221.603	Volume: 274
Hydrophobic surface: 367.767	Hydrophilic surface: 165.727

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.