MMsINC Database Search


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MMsINC code: MMs01226868

Type: Neutral
Formula: C₁₇H₁₉NO₅

SMILES:

O(C)c1cc(ccc1OC)C(=O)Nc1cc(OC)c(OC)cc1

InChI:

InChI=1/C17H19NO5/c1-20-13-7-5-11(9-15(13)22-3)17(19)18-12-6-8-14(21-2)16(10-12)23-4/h5-10H,1-4H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.239 kcal/mol

Physical Properties
Molecular Weight: 317.341 g/mol	logS: -3.55639	SlogP: 2.9733	Reactive groups: 0

Topological Properties
Globularity: 0.025593	Sterimol/B1: 2.48797	Sterimol/B2: 3.30454	Sterimol/B3: 3.6546
Sterimol/B4: 7.33553	Sterimol/L: 17.7242

Surface and Volume Properties
Accessible surface: 589.493	Positive charged surface: 460.936	Negative charged surface: 128.557	Volume: 300.25
Hydrophobic surface: 518.619	Hydrophilic surface: 70.874

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.