MMsINC Database Search


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MMsINC code: MMs03212904

Type: Neutral
Formula: C₁₉H₁₉NO₄

SMILES:

O(C)c1ccc(cc1O)Cc1nccc2c1cc(OC)c(OC)c2

InChI:

InChI=1/C19H19NO4/c1-22-17-5-4-12(9-16(17)21)8-15-14-11-19(24-3)18(23-2)10-13(14)6-7-20-15/h4-7,9-11,21H,8H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.574 kcal/mol

Physical Properties
Molecular Weight: 325.364 g/mol	logS: -3.74966	SlogP: 3.55697	Reactive groups: 0

Topological Properties
Globularity: 0.137075	Sterimol/B1: 2.3451	Sterimol/B2: 5.80195	Sterimol/B3: 5.96499
Sterimol/B4: 6.05634	Sterimol/L: 15.9887

Surface and Volume Properties
Accessible surface: 570.946	Positive charged surface: 440.524	Negative charged surface: 120.853	Volume: 311.875
Hydrophobic surface: 490.366	Hydrophilic surface: 80.58

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.