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MMsINC code: MMs02253752

Type: Neutral
Formula: C₁₇H₂₃NO₂

SMILES:

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

InChI:

InChI=1/C17H23NO2/c1-5-17(4,13-9-10-14(2)3)20-16(19)18-15-11-7-6-8-12-15/h5-8,10-12H,1,9,13H2,2-4H3,(H,18,19)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7082 kcal/mol

Physical Properties
Molecular Weight: 273.376 g/mol	logS: -4.35485	SlogP: 4.9262	Reactive groups: 0

Topological Properties
Globularity: 0.0656398	Sterimol/B1: 2.37497	Sterimol/B2: 3.49958	Sterimol/B3: 4.64048
Sterimol/B4: 7.31469	Sterimol/L: 17.063

Surface and Volume Properties
Accessible surface: 557.18	Positive charged surface: 355.18	Negative charged surface: 202	Volume: 294
Hydrophobic surface: 466.534	Hydrophilic surface: 90.646

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.