MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00523901

Type: Neutral
Formula: C₁₉H₂₃NO₄

SMILES:

O(C)c1c(OC)cc(cc1OC)C(=O)NC(CC)c1ccccc1

InChI:

InChI=1/C19H23NO4/c1-5-15(13-9-7-6-8-10-13)20-19(21)14-11-16(22-2)18(24-4)17(12-14)23-3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.307 kcal/mol

Physical Properties
Molecular Weight: 329.396 g/mol	logS: -3.97903	SlogP: 3.689	Reactive groups: 0

Topological Properties
Globularity: 0.0830355	Sterimol/B1: 2.19251	Sterimol/B2: 2.41253	Sterimol/B3: 5.30174
Sterimol/B4: 8.88497	Sterimol/L: 15.7003

Surface and Volume Properties
Accessible surface: 601.642	Positive charged surface: 446.833	Negative charged surface: 154.809	Volume: 328.625
Hydrophobic surface: 540.156	Hydrophilic surface: 61.486

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.