MMsINC Database Search


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MMsINC code: MMs02556356

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O\1c2c(ccc(O)c2)C(=O)/C/1=C/c1ccccc1O

InChI:

InChI=1/C15H10O4/c16-10-5-6-11-13(8-10)19-14(15(11)18)7-9-3-1-2-4-12(9)17/h1-8,16-17H/b14-7-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9788 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -3.82459	SlogP: 2.714	Reactive groups: 1

Topological Properties
Globularity: 0.0111653	Sterimol/B1: 2.20481	Sterimol/B2: 2.52973	Sterimol/B3: 2.72914
Sterimol/B4: 6.85391	Sterimol/L: 14.2822

Surface and Volume Properties
Accessible surface: 458.423	Positive charged surface: 254.439	Negative charged surface: 203.984	Volume: 230.25
Hydrophobic surface: 319.279	Hydrophilic surface: 139.144

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: no related molecules available.