MMsINC Database Search


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MMsINC code: MMs00534907

Type: Neutral
Formula: C₁₉H₂₃NO₆

SMILES:

O(C)c1c(OC)cc(cc1OC)CNC(=O)c1cc(OC)cc(OC)c1

InChI:

InChI=1/C19H23NO6/c1-22-14-8-13(9-15(10-14)23-2)19(21)20-11-12-6-16(24-3)18(26-5)17(7-12)25-4/h6-10H,11H2,1-5H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.09 kcal/mol

Physical Properties
Molecular Weight: 361.394 g/mol	logS: -3.55081	SlogP: 2.926	Reactive groups: 0

Topological Properties
Globularity: 0.116208	Sterimol/B1: 4.01063	Sterimol/B2: 5.92752	Sterimol/B3: 5.93205
Sterimol/B4: 6.46295	Sterimol/L: 18.786

Surface and Volume Properties
Accessible surface: 665.077	Positive charged surface: 540.813	Negative charged surface: 124.264	Volume: 342.375
Hydrophobic surface: 577.849	Hydrophilic surface: 87.228

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.