MMsINC Database Search


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MMsINC code: MMs01548450

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(C)c1ccc(cc1)CNC(=O)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C19H23NO2/c1-19(2,3)16-9-7-15(8-10-16)18(21)20-13-14-5-11-17(22-4)12-6-14/h5-12H,13H2,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.6011 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -5.36887	SlogP: 4.1891	Reactive groups: 0

Topological Properties
Globularity: 0.0513199	Sterimol/B1: 2.92654	Sterimol/B2: 4.08461	Sterimol/B3: 4.74507
Sterimol/B4: 5.20357	Sterimol/L: 17.816

Surface and Volume Properties
Accessible surface: 589.544	Positive charged surface: 383.101	Negative charged surface: 206.443	Volume: 310.875
Hydrophobic surface: 480.563	Hydrophilic surface: 108.981

Pharmacophoric Properties
Hydrogen bond donors: 1	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.