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MMsINC code: MMs03039017

Type: Neutral
Formula: C₁₁H₁₅NO₄

SMILES:

O(C)c1cc(C(N)C(O)=O)c(cc1OC)C

InChI:

InChI=1/C11H15NO4/c1-6-4-8(15-2)9(16-3)5-7(6)10(12)11(13)14/h4-5,10H,12H2,1-3H3,(H,13,14)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.0253 kcal/mol

Physical Properties
Molecular Weight: 225.244 g/mol	logS: -1.62032	SlogP: 1.19212	Reactive groups: 0

Topological Properties
Globularity: 0.109724	Sterimol/B1: 2.17774	Sterimol/B2: 2.59967	Sterimol/B3: 3.98787
Sterimol/B4: 8.53461	Sterimol/L: 11.7532

Surface and Volume Properties
Accessible surface: 431.198	Positive charged surface: 321.948	Negative charged surface: 109.25	Volume: 212
Hydrophobic surface: 281.544	Hydrophilic surface: 149.654

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

MMs03039018
PUBCHEM-ZINC03676874