MMsINC Database Search


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MMsINC code: MMs01974343

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(CC(=O)NC(C)(C)C)c1ccc(cc1)-c1ccc(cc1)C

InChI:

InChI=1/C19H23NO2/c1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)22-13-18(21)20-19(2,3)4/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)=95.0269 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -5.48976	SlogP: 3.95552	Reactive groups: 0

Topological Properties
Globularity: 0.0178899	Sterimol/B1: 3.32937	Sterimol/B2: 3.62226	Sterimol/B3: 3.62638
Sterimol/B4: 4.92202	Sterimol/L: 19.8495

Surface and Volume Properties
Accessible surface: 600.021	Positive charged surface: 355.661	Negative charged surface: 233.739	Volume: 313.5
Hydrophobic surface: 504.118	Hydrophilic surface: 95.903

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.