MMsINC Database Search


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MMsINC code: MMs00883245

Type: Neutral
Formula: C₁₇H₁₄O₅

SMILES:

O1C=C(C(=O)c2c1cc(O)cc2)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C17H14O5/c1-20-14-6-3-10(7-16(14)21-2)13-9-22-15-8-11(18)4-5-12(15)17(13)19/h3-9,18H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.1954 kcal/mol

Physical Properties
Molecular Weight: 298.294 g/mol	logS: -3.99809	SlogP: 3.0256	Reactive groups: 1

Topological Properties
Globularity: 0.0394231	Sterimol/B1: 2.17983	Sterimol/B2: 2.85881	Sterimol/B3: 3.29308
Sterimol/B4: 7.29619	Sterimol/L: 16.7732

Surface and Volume Properties
Accessible surface: 526.324	Positive charged surface: 346.317	Negative charged surface: 180.007	Volume: 273.25
Hydrophobic surface: 427.154	Hydrophilic surface: 99.17

Pharmacophoric Properties
Hydrogen bond donors: 1	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.