MMsINC Database Search


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

MMsINC code: MMs01457076

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O(CC)c1ccccc1CN1C(=O)C(NC1=O)(C)c1ccccc1

InChI:

InChI=1/C19H20N2O3/c1-3-24-16-12-8-7-9-14(16)13-21-17(22)19(2,20-18(21)23)15-10-5-4-6-11-15/h4-12H,3,13H2,1-2H3,(H,20,23)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.4273 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -4.27509	SlogP: 3.6304	Reactive groups: 0

Topological Properties
Globularity: 0.296482	Sterimol/B1: 1.969	Sterimol/B2: 3.75326	Sterimol/B3: 5.53502
Sterimol/B4: 8.5719	Sterimol/L: 12.284

Surface and Volume Properties
Accessible surface: 557.647	Positive charged surface: 353.361	Negative charged surface: 204.286	Volume: 316.625
Hydrophobic surface: 453.171	Hydrophilic surface: 104.476

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