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MMsINC code: MMs01974105

Type: Neutral
Formula: C₁₆H₁₀O₄

SMILES:

O1c2c(cccc2)C(=O)C=C1c1ccccc1C(O)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1172 kcal/mol

Physical Properties
Molecular Weight: 266.252 g/mol	logS: -4.51789	SlogP: 3.001	Reactive groups: 1

Topological Properties
Globularity: 0.0630974	Sterimol/B1: 2.84333	Sterimol/B2: 3.32747	Sterimol/B3: 4.69092
Sterimol/B4: 4.88399	Sterimol/L: 14.2406

Surface and Volume Properties
Accessible surface: 461.935	Positive charged surface: 250.586	Negative charged surface: 211.349	Volume: 242.5
Hydrophobic surface: 347.049	Hydrophilic surface: 114.886

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs01974106
IFLAB-ZINC00115160