MMsINC Database Search


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MMsINC code: MMs02181080

Type: Neutral
Formula: C₁₈H₁₈N₂O₄

SMILES:

O1CCOC1(C(NC(=O)C(=O)N)c1ccccc1)c1ccccc1

InChI:

InChI=1/C18H18N2O4/c19-16(21)17(22)20-15(13-7-3-1-4-8-13)18(23-11-12-24-18)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,19,21)(H,20,22)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.134 kcal/mol

Physical Properties
Molecular Weight: 326.352 g/mol	logS: -4.06755	SlogP: 1.636	Reactive groups: 0

Topological Properties
Globularity: 0.764488	Sterimol/B1: 2.44123	Sterimol/B2: 4.91072	Sterimol/B3: 5.72392
Sterimol/B4: 8.57178	Sterimol/L: 12.0145

Surface and Volume Properties
Accessible surface: 539.955	Positive charged surface: 351.433	Negative charged surface: 188.522	Volume: 303.625
Hydrophobic surface: 396.538	Hydrophilic surface: 143.417

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.