MMsINC Database Search


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MMsINC code: MMs00832472

Type: Neutral
Formula: C₁₉H₂₃NO₅

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)NCCc1ccc(OC)cc1

InChI:

InChI=1/C19H23NO5/c1-22-15-7-5-13(6-8-15)9-10-20-19(21)14-11-16(23-2)18(25-4)17(12-14)24-3/h5-8,11-12H,9-10H2,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.099 kcal/mol

Physical Properties
Molecular Weight: 345.395 g/mol	logS: -3.5619	SlogP: 2.69347	Reactive groups: 0

Topological Properties
Globularity: 0.0391272	Sterimol/B1: 2.37834	Sterimol/B2: 4.87899	Sterimol/B3: 4.93126
Sterimol/B4: 6.62951	Sterimol/L: 20.4072

Surface and Volume Properties
Accessible surface: 654.638	Positive charged surface: 510.07	Negative charged surface: 144.568	Volume: 336.375
Hydrophobic surface: 581.247	Hydrophilic surface: 73.391

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.