MMsINC Database Search


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MMsINC code: MMs02091200

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

O1c2c(ccc(O)c2O)C(=O)C=C1c1ccccc1O

InChI:

InChI=1/C15H10O5/c16-10-4-2-1-3-8(10)13-7-12(18)9-5-6-11(17)14(19)15(9)20-13/h1-7,16-17,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.1513 kcal/mol

Physical Properties
Molecular Weight: 270.24 g/mol	logS: -3.46264	SlogP: 2.4196	Reactive groups: 1

Topological Properties
Globularity: 0.0376695	Sterimol/B1: 2.097	Sterimol/B2: 3.87276	Sterimol/B3: 4.41465
Sterimol/B4: 4.91745	Sterimol/L: 14.149

Surface and Volume Properties
Accessible surface: 461.838	Positive charged surface: 254.885	Negative charged surface: 206.953	Volume: 235.375
Hydrophobic surface: 293.451	Hydrophilic surface: 168.387

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.