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MMsINC code: MMs03524477

Type: Neutral
Formula: C₁₅H₁₅NO₃

SMILES:

O(Nc1ccc(cc1)C(O)=O)c1cccc(C)c1C

InChI:

InChI=1/C15H15NO3/c1-10-4-3-5-14(11(10)2)19-16-13-8-6-12(7-9-13)15(17)18/h3-9,16H,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.1843 kcal/mol

Physical Properties
Molecular Weight: 257.289 g/mol	logS: -3.5602	SlogP: 3.40754	Reactive groups: 0

Topological Properties
Globularity: 0.069436	Sterimol/B1: 2.52102	Sterimol/B2: 3.65832	Sterimol/B3: 3.73632
Sterimol/B4: 6.0234	Sterimol/L: 15.8857

Surface and Volume Properties
Accessible surface: 497.892	Positive charged surface: 286.087	Negative charged surface: 211.805	Volume: 250.75
Hydrophobic surface: 390.779	Hydrophilic surface: 107.113

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

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

MMs03524478
PUBCHEM-ZINC06071649