MMsINC Database Search


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MMsINC code: MMs02091212

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

O1c2c(ccc(O)c2O)C(=O)C=C1c1ccccc1

InChI:

InChI=1/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)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)=77.8569 kcal/mol

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

Topological Properties
Globularity: 0.00338357	Sterimol/B1: 2.16028	Sterimol/B2: 2.26964	Sterimol/B3: 3.57669
Sterimol/B4: 5.83512	Sterimol/L: 14.109

Surface and Volume Properties
Accessible surface: 458.286	Positive charged surface: 245.816	Negative charged surface: 212.47	Volume: 226.5
Hydrophobic surface: 322.015	Hydrophilic surface: 136.271

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.