MMsINC Database Search


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MMsINC code: MMs00897176

Type: Neutral
Formula: C₂₂H₁₈N₂O₄

SMILES:

O(c1ccc(NC(=O)C(=O)c2ccccc2NC(=O)C)cc1)c1ccccc1

InChI:

InChI=1/C22H18N2O4/c1-15(25)23-20-10-6-5-9-19(20)21(26)22(27)24-16-11-13-18(14-12-16)28-17-7-3-2-4-8-17/h2-14H,1H3,(H,23,25)(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.244 kcal/mol

Physical Properties
Molecular Weight: 374.396 g/mol	logS: -5.67838	SlogP: 4.2587	Reactive groups: 0

Topological Properties
Globularity: 0.0378502	Sterimol/B1: 2.13334	Sterimol/B2: 3.47523	Sterimol/B3: 4.44476
Sterimol/B4: 7.94432	Sterimol/L: 20.0872

Surface and Volume Properties
Accessible surface: 650.801	Positive charged surface: 369.896	Negative charged surface: 280.906	Volume: 350
Hydrophobic surface: 546.645	Hydrophilic surface: 104.156

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.