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MMsINC code: MMs01225768

Type: Neutral
Formula: C₁₅H₁₁O₃-

SMILES:

O(c1cc(ccc1)\C=C\C(=O)[O-])c1ccccc1

InChI:

InChI=1/C15H12O3/c16-15(17)10-9-12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-11H,(H,16,17)/p-1/b10-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.7698 kcal/mol

Physical Properties
Molecular Weight: 239.25 g/mol	logS: -3.90326	SlogP: 2.242	Reactive groups: 0

Topological Properties
Globularity: 0.0869544	Sterimol/B1: 3.27298	Sterimol/B2: 3.30498	Sterimol/B3: 4.63798
Sterimol/B4: 5.14867	Sterimol/L: 15.7604

Surface and Volume Properties
Accessible surface: 475.582	Positive charged surface: 232.563	Negative charged surface: 243.019	Volume: 236
Hydrophobic surface: 364.701	Hydrophilic surface: 110.881

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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

MMs01225769
ENAMINE-ZINC00153702