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MMsINC code: MMs00837897

Type: Neutral
Formula: C₁₄H₁₉NO₃

SMILES:

OC(=O)C(NC(=O)c1ccc(cc1)C(C)(C)C)C

InChI:

InChI=1/C14H19NO3/c1-9(13(17)18)15-12(16)10-5-7-11(8-6-10)14(2,3)4/h5-9H,1-4H3,(H,15,16)(H,17,18)/t9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.3534 kcal/mol

Physical Properties
Molecular Weight: 249.31 g/mol	logS: -3.87364	SlogP: 2.187	Reactive groups: 0

Topological Properties
Globularity: 0.0604106	Sterimol/B1: 2.46069	Sterimol/B2: 3.35901	Sterimol/B3: 4.60407
Sterimol/B4: 4.6688	Sterimol/L: 15.0423

Surface and Volume Properties
Accessible surface: 490.572	Positive charged surface: 298.348	Negative charged surface: 192.223	Volume: 252.625
Hydrophobic surface: 291.145	Hydrophilic surface: 199.427

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

MMs00837898
CHEMDIV-ZINC00195915