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MMsINC code: MMs01740503

Type: Neutral
Formula: C₁₄H₁₉NO₃

SMILES:

OC(=O)C(NC(=O)C(C)(C)C)Cc1ccccc1

InChI:

InChI=1/C14H19NO3/c1-14(2,3)13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.2161 kcal/mol

Physical Properties
Molecular Weight: 249.31 g/mol	logS: -2.20099	SlogP: 1.84457	Reactive groups: 0

Topological Properties
Globularity: 0.170333	Sterimol/B1: 2.34323	Sterimol/B2: 3.83607	Sterimol/B3: 4.71983
Sterimol/B4: 7.26046	Sterimol/L: 11.7745

Surface and Volume Properties
Accessible surface: 470.65	Positive charged surface: 287.682	Negative charged surface: 182.968	Volume: 252.75
Hydrophobic surface: 316.758	Hydrophilic surface: 153.892

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

MMs01740504
IBS-ZINC00499500