MMsINC Database Search


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MMsINC code: MMs00139656

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

o1cccc1CNC(=O)Cn1cc(c2c1cccc2)C(=O)C(C)C

InChI:

InChI=1/C19H20N2O3/c1-13(2)19(23)16-11-21(17-8-4-3-7-15(16)17)12-18(22)20-10-14-6-5-9-24-14/h3-9,11,13H,10,12H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.8515 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -3.97664	SlogP: 3.9222	Reactive groups: 0

Topological Properties
Globularity: 0.049234	Sterimol/B1: 2.50898	Sterimol/B2: 2.56583	Sterimol/B3: 4.54206
Sterimol/B4: 8.9146	Sterimol/L: 17.447

Surface and Volume Properties
Accessible surface: 611.616	Positive charged surface: 350.866	Negative charged surface: 254.504	Volume: 321.5
Hydrophobic surface: 480.599	Hydrophilic surface: 131.017

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

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Ions/Tautomers related molecules: no related molecules available.