MMsINC Database Search


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MMsINC code: MMs02091202

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

O1c2c(cccc2)C(=O)C(O)=C1c1cc(O)c(O)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6464 kcal/mol

Physical Properties
Molecular Weight: 270.24 g/mol	logS: -3.49867	SlogP: 2.5997	Reactive groups: 1

Topological Properties
Globularity: 0.05198	Sterimol/B1: 3.18694	Sterimol/B2: 3.22858	Sterimol/B3: 3.90001
Sterimol/B4: 4.90364	Sterimol/L: 14.7851

Surface and Volume Properties
Accessible surface: 468.409	Positive charged surface: 269.589	Negative charged surface: 198.82	Volume: 234.125
Hydrophobic surface: 294.196	Hydrophilic surface: 174.213

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.