MMsINC Database Search


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MMsINC code: MMs02187792

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

O1C=C(c2ccc(O)cc2O)C(=O)c2c1cc(O)cc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.327 kcal/mol

Physical Properties
Molecular Weight: 270.24 g/mol	logS: -3.17343	SlogP: 2.4196	Reactive groups: 1

Topological Properties
Globularity: 0.0596557	Sterimol/B1: 2.55603	Sterimol/B2: 2.65628	Sterimol/B3: 4.1286
Sterimol/B4: 4.76208	Sterimol/L: 15.5287

Surface and Volume Properties
Accessible surface: 473.52	Positive charged surface: 264.647	Negative charged surface: 208.873	Volume: 235.125
Hydrophobic surface: 299.845	Hydrophilic surface: 173.675

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.