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MMsINC code: MMs00991589

Type: Neutral
Formula: C₁₇H₂₀N₂O₃

SMILES:

O(CCCNC(=O)Cn1cccc1C(=O)c1ccccc1)C

InChI:

InChI=1/C17H20N2O3/c1-22-12-6-10-18-16(20)13-19-11-5-9-15(19)17(21)14-7-3-2-4-8-14/h2-5,7-9,11H,6,10,12-13H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0241 kcal/mol

Physical Properties
Molecular Weight: 300.358 g/mol	logS: -2.46482	SlogP: 2.1382	Reactive groups: 0

Topological Properties
Globularity: 0.0600038	Sterimol/B1: 3.30076	Sterimol/B2: 3.51911	Sterimol/B3: 4.12785
Sterimol/B4: 7.26857	Sterimol/L: 17.8501

Surface and Volume Properties
Accessible surface: 592.008	Positive charged surface: 400.629	Negative charged surface: 191.379	Volume: 299.375
Hydrophobic surface: 499.349	Hydrophilic surface: 92.659

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: no related molecules available.