MMsINC Database Search


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MMsINC code: MMs00019677

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

O1c2c(C(=O)C(O)=C1c1ccccc1)c(O)cc(O)c2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3302 kcal/mol

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

Topological Properties
Globularity: 0.0452675	Sterimol/B1: 2.97767	Sterimol/B2: 3.02367	Sterimol/B3: 3.57739
Sterimol/B4: 5.42379	Sterimol/L: 14.2095

Surface and Volume Properties
Accessible surface: 462.809	Positive charged surface: 275.203	Negative charged surface: 187.606	Volume: 235
Hydrophobic surface: 296.408	Hydrophilic surface: 166.401

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.