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MMsINC code: MMs02625391

Type: Neutral
Formula: C₂₀H₁₄O₄

SMILES:

Oc1ccc(cc1-c1ccccc1)C(=O)c1ccccc1C(O)=O

InChI:

InChI=1/C20H14O4/c21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1-12,21H,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.6554 kcal/mol

Physical Properties
Molecular Weight: 318.328 g/mol	logS: -5.49152	SlogP: 3.9884	Reactive groups: 0

Topological Properties
Globularity: 0.109161	Sterimol/B1: 3.26092	Sterimol/B2: 3.85671	Sterimol/B3: 4.1138
Sterimol/B4: 4.74054	Sterimol/L: 16.5817

Surface and Volume Properties
Accessible surface: 543.427	Positive charged surface: 287.422	Negative charged surface: 251.153	Volume: 298
Hydrophobic surface: 401.634	Hydrophilic surface: 141.793

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02625392
PUBCHEM-ZINC00001431