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MMsINC code: MMs02255929

Type: Neutral
Formula: C₁₆H₁₀O₄

SMILES:

Oc1ccc(cc1)C(=O)C1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C16H10O4/c17-10-7-5-9(6-8-10)14(18)13-15(19)11-3-1-2-4-12(11)16(13)20/h1-8,13,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6617 kcal/mol

Physical Properties
Molecular Weight: 266.252 g/mol	logS: -3.63732	SlogP: 2.2703	Reactive groups: 0

Topological Properties
Globularity: 0.0613839	Sterimol/B1: 3.07096	Sterimol/B2: 3.33774	Sterimol/B3: 3.80217
Sterimol/B4: 4.16375	Sterimol/L: 15.3903

Surface and Volume Properties
Accessible surface: 472.923	Positive charged surface: 233.212	Negative charged surface: 239.71	Volume: 239.125
Hydrophobic surface: 319.289	Hydrophilic surface: 153.634

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02255930
NCID-ZINC01603191