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MMsINC code: MMs00807292

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O(C(=O)c1ccccc1NC(=O)CN1CCc2c(C1)cccc2)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.319 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -3.81836	SlogP: 2.73637	Reactive groups: 0

Topological Properties
Globularity: 0.104871	Sterimol/B1: 2.1262	Sterimol/B2: 3.14483	Sterimol/B3: 5.25643
Sterimol/B4: 7.97969	Sterimol/L: 16.8652

Surface and Volume Properties
Accessible surface: 596.974	Positive charged surface: 410.606	Negative charged surface: 186.368	Volume: 314.75
Hydrophobic surface: 535.951	Hydrophilic surface: 61.023

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

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Ions/Tautomers related molecules

MMs00807293
CHEMBRIDGE-ZINC04869888