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MMsINC code: MMs01257752

Type: Neutral
Formula: C₁₈H₁₈N₂O₄

SMILES:

O(C(=O)CNC(=O)c1ccccc1)CC(=O)NCc1ccccc1

InChI:

InChI=1/C18H18N2O4/c21-16(19-11-14-7-3-1-4-8-14)13-24-17(22)12-20-18(23)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,19,21)(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.3441 kcal/mol

Physical Properties
Molecular Weight: 326.352 g/mol	logS: -3.87965	SlogP: 1.5424	Reactive groups: 1

Topological Properties
Globularity: 0.0201217	Sterimol/B1: 3.22474	Sterimol/B2: 3.61715	Sterimol/B3: 3.61874
Sterimol/B4: 5.35798	Sterimol/L: 21.5081

Surface and Volume Properties
Accessible surface: 629.231	Positive charged surface: 370.975	Negative charged surface: 258.256	Volume: 312.875
Hydrophobic surface: 479.793	Hydrophilic surface: 149.438

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.