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MMsINC code: MMs01525981

Type: Neutral
Formula: C₂₀H₂₃NO₃

SMILES:

O(C(=O)c1ccc(cc1)C(C)C)CC(=O)NCCc1ccccc1

InChI:

InChI=1/C20H23NO3/c1-15(2)17-8-10-18(11-9-17)20(23)24-14-19(22)21-13-12-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7784 kcal/mol

Physical Properties
Molecular Weight: 325.408 g/mol	logS: -5.27291	SlogP: 3.32567	Reactive groups: 0

Topological Properties
Globularity: 0.030103	Sterimol/B1: 2.37476	Sterimol/B2: 2.47181	Sterimol/B3: 4.87447
Sterimol/B4: 6.35766	Sterimol/L: 20.4984

Surface and Volume Properties
Accessible surface: 648.964	Positive charged surface: 403.911	Negative charged surface: 245.053	Volume: 334.125
Hydrophobic surface: 519.932	Hydrophilic surface: 129.032

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.