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MMsINC code: MMs02674172

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O1C(c2c(cccc2)C1=O)c1ccccc1C(O)=O

InChI:

InChI=1/C15H10O4/c16-14(17)11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)15(18)19-13/h1-8,13H,(H,16,17)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.9983 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -3.62631	SlogP: 2.7401	Reactive groups: 0

Topological Properties
Globularity: 0.178118	Sterimol/B1: 2.097	Sterimol/B2: 3.30792	Sterimol/B3: 4.65137
Sterimol/B4: 6.14598	Sterimol/L: 11.7158

Surface and Volume Properties
Accessible surface: 433.101	Positive charged surface: 220.748	Negative charged surface: 212.353	Volume: 228.625
Hydrophobic surface: 295.041	Hydrophilic surface: 138.06

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02674173
PUBCHEM-ZINC00397538