MMsINC Database Search


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

MMsINC code: MMs01652348

Type: Neutral
Formula: C₁₉H₂₀N₂O₆

SMILES:

O(C(=O)c1cc(NC(=O)C)cc(NC(=O)C)c1)c1cc(OC)cc(OC)c1

InChI:

InChI=1/C19H20N2O6/c1-11(22)20-14-5-13(6-15(7-14)21-12(2)23)19(24)27-18-9-16(25-3)8-17(10-18)26-4/h5-10H,1-4H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.414 kcal/mol

Physical Properties
Molecular Weight: 372.377 g/mol	logS: -4.0186	SlogP: 2.8398	Reactive groups: 0

Topological Properties
Globularity: 0.144252	Sterimol/B1: 2.14058	Sterimol/B2: 3.70074	Sterimol/B3: 6.37918
Sterimol/B4: 9.09156	Sterimol/L: 16.6664

Surface and Volume Properties
Accessible surface: 658.033	Positive charged surface: 455.694	Negative charged surface: 202.339	Volume: 343.25
Hydrophobic surface: 517.088	Hydrophilic surface: 140.945

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.