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MMsINC code: MMs00093416

Type: Neutral
Formula: C₁₁H₁₅NO₃

SMILES:

O(CC(=O)NCC(O)C)c1ccccc1

InChI:

InChI=1/C11H15NO3/c1-9(13)7-12-11(14)8-15-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9728 kcal/mol

Physical Properties
Molecular Weight: 209.245 g/mol	logS: -1.7325	SlogP: 0.5624	Reactive groups: 0

Topological Properties
Globularity: 0.0218946	Sterimol/B1: 2.37053	Sterimol/B2: 3.3903	Sterimol/B3: 3.7253
Sterimol/B4: 4.07489	Sterimol/L: 15.9488

Surface and Volume Properties
Accessible surface: 454.973	Positive charged surface: 293.923	Negative charged surface: 161.05	Volume: 208.75
Hydrophobic surface: 327.997	Hydrophilic surface: 126.976

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.