MMsINC Database Search


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MMsINC code: MMs00757900

Type: Neutral
Formula: C₁₆H₁₈N₂O₂

SMILES:

O(CC)c1ccc(NC(=O)Nc2ccccc2C)cc1

InChI:

InChI=1/C16H18N2O2/c1-3-20-14-10-8-13(9-11-14)17-16(19)18-15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5841 kcal/mol

Physical Properties
Molecular Weight: 270.332 g/mol	logS: -3.79011	SlogP: 4.03772	Reactive groups: 0

Topological Properties
Globularity: 0.018749	Sterimol/B1: 2.35847	Sterimol/B2: 3.3072	Sterimol/B3: 4.27584
Sterimol/B4: 4.53957	Sterimol/L: 17.816

Surface and Volume Properties
Accessible surface: 537.977	Positive charged surface: 342.417	Negative charged surface: 195.559	Volume: 273.625
Hydrophobic surface: 455.211	Hydrophilic surface: 82.766

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