MMsINC Database Search


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MMsINC code: MMs03307863

Type: Neutral
Formula: C₂₀H₂₃NO₅

SMILES:

O(C)c1cc(ccc1OC)/C(=N\OC(=O)c1ccc(OC(C)C)cc1)/C

InChI:

InChI=1/C20H23NO5/c1-13(2)25-17-9-6-15(7-10-17)20(22)26-21-14(3)16-8-11-18(23-4)19(12-16)24-5/h6-13H,1-5H3/b21-14-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.324 kcal/mol

Physical Properties
Molecular Weight: 357.406 g/mol	logS: -4.79394	SlogP: 4.072	Reactive groups: 0

Topological Properties
Globularity: 0.0506324	Sterimol/B1: 2.68301	Sterimol/B2: 4.68165	Sterimol/B3: 5.45233
Sterimol/B4: 7.13573	Sterimol/L: 17.1849

Surface and Volume Properties
Accessible surface: 657.056	Positive charged surface: 454.821	Negative charged surface: 202.235	Volume: 351.75
Hydrophobic surface: 534.741	Hydrophilic surface: 122.315

Pharmacophoric Properties
Hydrogen bond donors: 0	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.