MMsINC Database Search


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

MMsINC code: MMs02496266

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O(C)C1(N(Cc2ccccc2)C(=O)CNC1=O)Cc1ccccc1

InChI:

InChI=1/C19H20N2O3/c1-24-19(12-15-8-4-2-5-9-15)18(23)20-13-17(22)21(19)14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,20,23)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.39 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -3.7744	SlogP: 1.99677	Reactive groups: 0

Topological Properties
Globularity: 0.279102	Sterimol/B1: 2.21415	Sterimol/B2: 4.38603	Sterimol/B3: 6.52304
Sterimol/B4: 6.61513	Sterimol/L: 14.1569

Surface and Volume Properties
Accessible surface: 531.232	Positive charged surface: 338.538	Negative charged surface: 192.695	Volume: 310.875
Hydrophobic surface: 437.571	Hydrophilic surface: 93.661

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.