MMsINC Database Search


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MMsINC code: MMs02627277

Type: Neutral
Formula: C₁₉H₂₃NO₃

SMILES:

O(C)c1cccc(OC)c1C(=O)N(Cc1ccccc1)C(C)C

InChI:

InChI=1/C19H23NO3/c1-14(2)20(13-15-9-6-5-7-10-15)19(21)18-16(22-3)11-8-12-17(18)23-4/h5-12,14H,13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.793 kcal/mol

Physical Properties
Molecular Weight: 313.397 g/mol	logS: -3.9481	SlogP: 4.021	Reactive groups: 0

Topological Properties
Globularity: 0.332702	Sterimol/B1: 2.21934	Sterimol/B2: 3.52557	Sterimol/B3: 4.53948
Sterimol/B4: 8.87905	Sterimol/L: 12.5836

Surface and Volume Properties
Accessible surface: 535.632	Positive charged surface: 379.571	Negative charged surface: 156.061	Volume: 321.375
Hydrophobic surface: 471.838	Hydrophilic surface: 63.794

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.