MMsINC Database Search


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MMsINC code: MMs02091201

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

O1c2c(ccc(O)c2O)C(=O)C=C1c1cc(O)ccc1

InChI:

InChI=1/C15H10O5/c16-9-3-1-2-8(6-9)13-7-12(18)10-4-5-11(17)14(19)15(10)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)=79.7915 kcal/mol

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

Topological Properties
Globularity: 0.00447391	Sterimol/B1: 2.13422	Sterimol/B2: 2.3191	Sterimol/B3: 4.13242
Sterimol/B4: 5.40913	Sterimol/L: 14.1999

Surface and Volume Properties
Accessible surface: 471.361	Positive charged surface: 260.687	Negative charged surface: 210.674	Volume: 234.875
Hydrophobic surface: 283.566	Hydrophilic surface: 187.795

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.