MMsINC Database Search


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MMsINC code: MMs01972391

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

O1c2c(cc(O)cc2)C(=O)C=C1c1cc(O)c(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1197 kcal/mol

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

Topological Properties
Globularity: 0.00490617	Sterimol/B1: 2.20419	Sterimol/B2: 2.21147	Sterimol/B3: 3.40823
Sterimol/B4: 5.59719	Sterimol/L: 15.3872

Surface and Volume Properties
Accessible surface: 473.028	Positive charged surface: 262.87	Negative charged surface: 210.158	Volume: 235.25
Hydrophobic surface: 280.368	Hydrophilic surface: 192.66

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.