MMsINC Database Search


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

MMsINC code: MMs01419470

Type: Neutral
Formula: C₁₉H₂₀N₂O₄

SMILES:

O(C(=O)c1cc(N(C)C)ccc1)CC(=O)Nc1ccccc1C(=O)C

InChI:

InChI=1/C19H20N2O4/c1-13(22)16-9-4-5-10-17(16)20-18(23)12-25-19(24)14-7-6-8-15(11-14)21(2)3/h4-11H,12H2,1-3H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.367 kcal/mol

Physical Properties
Molecular Weight: 340.379 g/mol	logS: -4.00272	SlogP: 2.7507	Reactive groups: 0

Topological Properties
Globularity: 0.0182955	Sterimol/B1: 2.4146	Sterimol/B2: 2.54833	Sterimol/B3: 4.04315
Sterimol/B4: 7.18519	Sterimol/L: 19.238

Surface and Volume Properties
Accessible surface: 622.356	Positive charged surface: 413.067	Negative charged surface: 209.288	Volume: 329.5
Hydrophobic surface: 517.959	Hydrophilic surface: 104.397

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.