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MMsINC code: MMs03518543

Type: Neutral
Formula: C₂₁H₂₄N₂O₃

SMILES:

O1CCN(CC1)CC(=O)NC(CC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C21H24N2O3/c24-20(18-9-5-2-6-10-18)15-19(17-7-3-1-4-8-17)22-21(25)16-23-11-13-26-14-12-23/h1-10,19H,11-16H2,(H,22,25)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.895 kcal/mol

Physical Properties
Molecular Weight: 352.434 g/mol	logS: -3.70155	SlogP: 2.5446	Reactive groups: 0

Topological Properties
Globularity: 0.0941626	Sterimol/B1: 2.55152	Sterimol/B2: 3.59172	Sterimol/B3: 3.88973
Sterimol/B4: 11.1942	Sterimol/L: 16.9107

Surface and Volume Properties
Accessible surface: 646.766	Positive charged surface: 434.461	Negative charged surface: 212.305	Volume: 352.75
Hydrophobic surface: 586.428	Hydrophilic surface: 60.338

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

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Ions/Tautomers related molecules

MMs03518544
PUBCHEM-ZINC06061834