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MMsINC code: MMs00014649

Type: Neutral
Formula: C₁₅H₂₁NO₄

SMILES:

O(C(C)(C)C)C(=O)NC(C(C)c1ccccc1)C(O)=O

InChI:

InChI=1/C15H21NO4/c1-10(11-8-6-5-7-9-11)12(13(17)18)16-14(19)20-15(2,3)4/h5-10,12H,1-4H3,(H,16,19)(H,17,18)/t10-,12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.423 kcal/mol

Physical Properties
Molecular Weight: 279.336 g/mol	logS: -2.84854	SlogP: 2.768	Reactive groups: 0

Topological Properties
Globularity: 0.141807	Sterimol/B1: 3.46954	Sterimol/B2: 4.07062	Sterimol/B3: 4.34466
Sterimol/B4: 7.49101	Sterimol/L: 12.8208

Surface and Volume Properties
Accessible surface: 530.253	Positive charged surface: 330.454	Negative charged surface: 199.799	Volume: 277
Hydrophobic surface: 349.9	Hydrophilic surface: 180.353

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00014650
ACROSORGANICS-ZINC02570104