MMsINC Database Search


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MMsINC code: MMs01729126

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O1c2c(cc(O)cc2)C(=O)C(O)=C1c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.6828 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -3.86062	SlogP: 2.8941	Reactive groups: 1

Topological Properties
Globularity: 0.0394375	Sterimol/B1: 2.81487	Sterimol/B2: 2.94884	Sterimol/B3: 3.57086
Sterimol/B4: 5.25815	Sterimol/L: 14.7871

Surface and Volume Properties
Accessible surface: 460.196	Positive charged surface: 258.106	Negative charged surface: 202.09	Volume: 230.25
Hydrophobic surface: 327.481	Hydrophilic surface: 132.715

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.