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MMsINC code: MMs03038975

Type: Neutral
Formula: C₁₅H₁₅NO₃

SMILES:

O(Cc1ccccc1)c1cc(ccc1)C(N)C(O)=O

InChI:

InChI=1/C15H15NO3/c16-14(15(17)18)12-7-4-8-13(9-12)19-10-11-5-2-1-3-6-11/h1-9,14H,10,16H2,(H,17,18)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2951 kcal/mol

Physical Properties
Molecular Weight: 257.289 g/mol	logS: -2.86392	SlogP: 2.7119	Reactive groups: 0

Topological Properties
Globularity: 0.0823037	Sterimol/B1: 3.2337	Sterimol/B2: 3.7498	Sterimol/B3: 3.80927
Sterimol/B4: 5.17081	Sterimol/L: 15.4393

Surface and Volume Properties
Accessible surface: 505.214	Positive charged surface: 289.153	Negative charged surface: 216.061	Volume: 251.25
Hydrophobic surface: 352.632	Hydrophilic surface: 152.582

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs03038976
PUBCHEM-ZINC03676811