MMsINC Database Search


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MMsINC code: MMs00676951

Type: Neutral
Formula: C₁₈H₁₈N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)c2ccc(NC(=O)CC)cc2)cc1)C

InChI:

InChI=1/C18H18N2O4/c1-3-16(21)19-14-8-4-12(5-9-14)17(22)20-15-10-6-13(7-11-15)18(23)24-2/h4-11H,3H2,1-2H3,(H,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.4034 kcal/mol

Physical Properties
Molecular Weight: 326.352 g/mol	logS: -4.14782	SlogP: 3.074	Reactive groups: 0

Topological Properties
Globularity: 0.014604	Sterimol/B1: 2.53193	Sterimol/B2: 2.62654	Sterimol/B3: 3.57861
Sterimol/B4: 5.67437	Sterimol/L: 21.4099

Surface and Volume Properties
Accessible surface: 611.456	Positive charged surface: 392.046	Negative charged surface: 219.41	Volume: 311
Hydrophobic surface: 466.783	Hydrophilic surface: 144.673

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.