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MMsINC code: MMs00252865

Type: Neutral
Formula: C₁₆H₂₃NO₄

SMILES:

o1cccc1C(OC(C(C)C)C(=O)NC1CCCCC1)=O

InChI:

InChI=1/C16H23NO4/c1-11(2)14(21-16(19)13-9-6-10-20-13)15(18)17-12-7-4-3-5-8-12/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,17,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.6232 kcal/mol

Physical Properties
Molecular Weight: 293.363 g/mol	logS: -3.89264	SlogP: 2.9099	Reactive groups: 0

Topological Properties
Globularity: 0.0697009	Sterimol/B1: 2.51046	Sterimol/B2: 2.86913	Sterimol/B3: 4.11111
Sterimol/B4: 7.03862	Sterimol/L: 16.8795

Surface and Volume Properties
Accessible surface: 557.493	Positive charged surface: 362.898	Negative charged surface: 194.594	Volume: 290.375
Hydrophobic surface: 453.954	Hydrophilic surface: 103.539

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.