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MMsINC code: MMs01725135

Type: Neutral
Formula: C₁₅H₁₄O₃

SMILES:

O(c1cc(ccc1)C(C(O)=O)C)c1ccccc1

InChI:

InChI=1/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.3619 kcal/mol

Physical Properties
Molecular Weight: 242.274 g/mol	logS: -3.40023	SlogP: 3.667	Reactive groups: 0

Topological Properties
Globularity: 0.0825104	Sterimol/B1: 2.38462	Sterimol/B2: 3.50407	Sterimol/B3: 4.30848
Sterimol/B4: 5.08294	Sterimol/L: 14.9351

Surface and Volume Properties
Accessible surface: 472.309	Positive charged surface: 276.484	Negative charged surface: 195.825	Volume: 238.25
Hydrophobic surface: 366.139	Hydrophilic surface: 106.17

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs01725136
FDA-ZINC00402909