MMsINC Database Search


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MMsINC code: MMs02091513

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

O\1c2c(ccc(O)c2)C(=O)/C/1=C\c1cc(O)c(O)cc1

InChI:

InChI=1/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H/b14-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6085 kcal/mol

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

Topological Properties
Globularity: 0.0250721	Sterimol/B1: 2.097	Sterimol/B2: 3.33349	Sterimol/B3: 3.76394
Sterimol/B4: 4.67292	Sterimol/L: 15.3319

Surface and Volume Properties
Accessible surface: 470.715	Positive charged surface: 277.813	Negative charged surface: 192.902	Volume: 236.25
Hydrophobic surface: 297.92	Hydrophilic surface: 172.795

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.