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MMsINC code: MMs03950788

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

O(C)c1ccc(cc1C)-c1cc(ccc1)C(O)=O

InChI:

InChI=1/C15H14O3/c1-10-8-12(6-7-14(10)18-2)11-4-3-5-13(9-11)15(16)17/h3-9H,1-2H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6775 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -3.99151	SlogP: 3.36882	Reactive groups: 0

Topological Properties
Globularity: 0.00811329	Sterimol/B1: 2.32981	Sterimol/B2: 2.3837	Sterimol/B3: 2.51187
Sterimol/B4: 6.6356	Sterimol/L: 14.9614

Surface and Volume Properties
Accessible surface: 469.264	Positive charged surface: 278.648	Negative charged surface: 179.432	Volume: 238
Hydrophobic surface: 369.54	Hydrophilic surface: 99.724

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03950789
TYGER-ZINC04204292