MMsINC Database Search


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MMsINC code: MMs02759296

Type: Neutral
Formula: C₁₉H₂₂N₂O₂

SMILES:

O=C(Nc1ccccc1)C(CCC(=O)Nc1ccccc1)(C)C

InChI:

InChI=1/C19H22N2O2/c1-19(2,18(23)21-16-11-7-4-8-12-16)14-13-17(22)20-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4373 kcal/mol

Physical Properties
Molecular Weight: 310.397 g/mol	logS: -3.95255	SlogP: 4.0702	Reactive groups: 0

Topological Properties
Globularity: 0.0382626	Sterimol/B1: 2.31596	Sterimol/B2: 2.34705	Sterimol/B3: 4.91551
Sterimol/B4: 6.43859	Sterimol/L: 19.0542

Surface and Volume Properties
Accessible surface: 592.062	Positive charged surface: 356.785	Negative charged surface: 235.276	Volume: 317.375
Hydrophobic surface: 491.159	Hydrophilic surface: 100.903

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.