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MMsINC code: MMs03546113

Type: Neutral
Formula: C₁₅H₈O₅

SMILES:

Oc1c2c(cc(c1)C(O)=O)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C15H8O5/c16-11-6-7(15(19)20)5-10-12(11)14(18)9-4-2-1-3-8(9)13(10)17/h1-6,16H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7753 kcal/mol

Physical Properties
Molecular Weight: 268.224 g/mol	logS: -3.49245	SlogP: 1.8658	Reactive groups: 0

Topological Properties
Globularity: 0.00210254	Sterimol/B1: 2.11283	Sterimol/B2: 2.22215	Sterimol/B3: 3.3866
Sterimol/B4: 5.74352	Sterimol/L: 14.4966

Surface and Volume Properties
Accessible surface: 435.565	Positive charged surface: 229.418	Negative charged surface: 206.147	Volume: 229.375
Hydrophobic surface: 235.873	Hydrophilic surface: 199.692

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs03546114
PUBCHEM-ZINC06117133