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MMsINC code: MMs02616719

Type: Neutral
Formula: C₁₆H₂₃NO₄

SMILES:

O(C(C)(C)C)C(=O)NC(CCc1ccccc1)CC(O)=O

InChI:

InChI=1/C16H23NO4/c1-16(2,3)21-15(20)17-13(11-14(18)19)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.413 kcal/mol

Physical Properties
Molecular Weight: 293.363 g/mol	logS: -2.73046	SlogP: 2.98717	Reactive groups: 0

Topological Properties
Globularity: 0.102457	Sterimol/B1: 2.49683	Sterimol/B2: 3.99304	Sterimol/B3: 4.5813
Sterimol/B4: 7.69799	Sterimol/L: 14.5905

Surface and Volume Properties
Accessible surface: 560.55	Positive charged surface: 364.45	Negative charged surface: 196.1	Volume: 295.75
Hydrophobic surface: 394.777	Hydrophilic surface: 165.773

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

MMs02616720
PEPTECH-ZINC02572718