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MMsINC code: MMs01228027

Type: Neutral
Formula: C₁₆H₁₃O₃-

SMILES:

O=C(c1cc(ccc1C)C)c1ccccc1C(=O)[O-]

InChI:

InChI=1/C16H14O3/c1-10-7-8-11(2)14(9-10)15(17)12-5-3-4-6-13(12)16(18)19/h3-9H,1-2H3,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.026 kcal/mol

Physical Properties
Molecular Weight: 253.277 g/mol	logS: -4.63538	SlogP: 1.89794	Reactive groups: 0

Topological Properties
Globularity: 0.19412	Sterimol/B1: 1.969	Sterimol/B2: 3.4053	Sterimol/B3: 5.1322
Sterimol/B4: 7.78099	Sterimol/L: 12.3276

Surface and Volume Properties
Accessible surface: 462.544	Positive charged surface: 239.878	Negative charged surface: 222.666	Volume: 247.875
Hydrophobic surface: 378.014	Hydrophilic surface: 84.53

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 2	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

MMs01228028
ENAMINE-ZINC00282267