MMsINC Database Search


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

MMsINC code: MMs00645324

Type: Neutral
Formula: C₁₉H₂₃NO₃

SMILES:

O(C)c1cc(C)c(NC(=O)c2cc(OC)ccc2)cc1C(C)C

InChI:

InChI=1/C19H23NO3/c1-12(2)16-11-17(13(3)9-18(16)23-5)20-19(21)14-7-6-8-15(10-14)22-4/h6-12H,1-5H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.703 kcal/mol

Physical Properties
Molecular Weight: 313.397 g/mol	logS: -4.80701	SlogP: 4.38792	Reactive groups: 0

Topological Properties
Globularity: 0.0378362	Sterimol/B1: 2.08256	Sterimol/B2: 3.21173	Sterimol/B3: 4.00979
Sterimol/B4: 8.75377	Sterimol/L: 17.7394

Surface and Volume Properties
Accessible surface: 593.124	Positive charged surface: 426.498	Negative charged surface: 166.626	Volume: 320.5
Hydrophobic surface: 515.651	Hydrophilic surface: 77.473

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.