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MMsINC code: MMs03039143

Type: Neutral
Formula: C₁₁H₁₅NO₄

SMILES:

O(C)c1cc(ccc1OC)C(N)(C(O)=O)C

InChI:

InChI=1/C11H15NO4/c1-11(12,10(13)14)7-4-5-8(15-2)9(6-7)16-3/h4-6H,12H2,1-3H3,(H,13,14)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.7952 kcal/mol

Physical Properties
Molecular Weight: 225.244 g/mol	logS: -1.47361	SlogP: 1.2738	Reactive groups: 0

Topological Properties
Globularity: 0.113539	Sterimol/B1: 2.34449	Sterimol/B2: 2.48902	Sterimol/B3: 4.78785
Sterimol/B4: 7.40646	Sterimol/L: 12.497

Surface and Volume Properties
Accessible surface: 430.487	Positive charged surface: 318.522	Negative charged surface: 111.965	Volume: 212.875
Hydrophobic surface: 274.451	Hydrophilic surface: 156.036

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs03039144
PUBCHEM-ZINC03677034