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MMsINC code: MMs02411320

Type: Neutral
Formula: C₁₇H₁₀O₆

SMILES:

O=C1c2c(cc(C(O)=O)c(c2)C(O)=O)C(=O)C1c1ccccc1

InChI:

InChI=1/C17H10O6/c18-14-9-6-11(16(20)21)12(17(22)23)7-10(9)15(19)13(14)8-4-2-1-3-5-8/h1-7,13H,(H,20,21)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5689 kcal/mol

Physical Properties
Molecular Weight: 310.261 g/mol	logS: -3.78627	SlogP: 2.2458	Reactive groups: 0

Topological Properties
Globularity: 0.101679	Sterimol/B1: 3.03776	Sterimol/B2: 4.40874	Sterimol/B3: 4.4685
Sterimol/B4: 5.13171	Sterimol/L: 14.5683

Surface and Volume Properties
Accessible surface: 511.008	Positive charged surface: 258.028	Negative charged surface: 252.98	Volume: 264.125
Hydrophobic surface: 261.26	Hydrophilic surface: 249.748

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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

MMs02411321
NCID-ZINC04877185