MMsINC Database Search


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MMsINC code: MMs00019377

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O1c2c(cccc2)C(=O)C=C1c1cc(O)c(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6151 kcal/mol

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

Topological Properties
Globularity: 0.00319276	Sterimol/B1: 2.11813	Sterimol/B2: 2.33536	Sterimol/B3: 3.83952
Sterimol/B4: 5.13063	Sterimol/L: 14.8082

Surface and Volume Properties
Accessible surface: 459.414	Positive charged surface: 244.359	Negative charged surface: 215.055	Volume: 227.5
Hydrophobic surface: 319.531	Hydrophilic surface: 139.883

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.