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MMsINC code: MMs00834311

Type: Neutral
Formula: C₁₄H₁₀O₄

SMILES:

OC(=O)c1ccc(cc1)-c1ccc(cc1)C(O)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.968 kcal/mol

Physical Properties
Molecular Weight: 242.23 g/mol	logS: -3.75006	SlogP: 2.75	Reactive groups: 0

Topological Properties
Globularity: 3.70479e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.10303	Sterimol/B3: 2.51657
Sterimol/B4: 5.07555	Sterimol/L: 15.9691

Surface and Volume Properties
Accessible surface: 439.248	Positive charged surface: 213.066	Negative charged surface: 215.111	Volume: 222.5
Hydrophobic surface: 251.385	Hydrophilic surface: 187.863

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00834312
CHEMDIV-ZINC00134079