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MMsINC code: MMs00790421

Type: Neutral
Formula: C₂₀H₂₈N₂O₃

SMILES:

O1CCN(CC1)C(=O)c1ccccc1NC(=O)CCC1CCCCC1

InChI:

InChI=1/C20H28N2O3/c23-19(11-10-16-6-2-1-3-7-16)21-18-9-5-4-8-17(18)20(24)22-12-14-25-15-13-22/h4-5,8-9,16H,1-3,6-7,10-15H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.2425 kcal/mol

Physical Properties
Molecular Weight: 344.455 g/mol	logS: -5.117	SlogP: 3.458	Reactive groups: 0

Topological Properties
Globularity: 0.0545874	Sterimol/B1: 2.79975	Sterimol/B2: 3.52961	Sterimol/B3: 3.91608
Sterimol/B4: 9.08872	Sterimol/L: 16.7403

Surface and Volume Properties
Accessible surface: 621.911	Positive charged surface: 474.748	Negative charged surface: 147.163	Volume: 344.75
Hydrophobic surface: 553.361	Hydrophilic surface: 68.55

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.