MMsINC Database Search


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MMsINC code: MMs00741689

Type: Neutral
Formula: C₁₄H₁₀O₄

SMILES:

Oc1ccc(cc1)C(=O)C(=O)c1ccc(O)cc1

InChI:

InChI=1/C14H10O4/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,15-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.6087 kcal/mol

Physical Properties
Molecular Weight: 242.23 g/mol	logS: -3.06514	SlogP: 2.1634	Reactive groups: 1

Topological Properties
Globularity: 0.129839	Sterimol/B1: 2.83041	Sterimol/B2: 3.76425	Sterimol/B3: 4.19056
Sterimol/B4: 5.31726	Sterimol/L: 13.9109

Surface and Volume Properties
Accessible surface: 446.407	Positive charged surface: 230.432	Negative charged surface: 215.975	Volume: 219
Hydrophobic surface: 281.338	Hydrophilic surface: 165.069

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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: no related molecules available.