MMsINC Database Search


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MMsINC code: MMs02091199

Type: Neutral
Formula: C₁₅H₁₀O₅

SMILES:

O1c2c(C(=O)C=C1c1ccccc1O)c(O)cc(O)c2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3099 kcal/mol

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

Topological Properties
Globularity: 0.0360477	Sterimol/B1: 2.097	Sterimol/B2: 3.84042	Sterimol/B3: 3.94798
Sterimol/B4: 5.00006	Sterimol/L: 14.2368

Surface and Volume Properties
Accessible surface: 462.698	Positive charged surface: 265.202	Negative charged surface: 197.496	Volume: 237
Hydrophobic surface: 291.716	Hydrophilic surface: 170.982

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.