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MMsINC code: MMs00648562

Type: Neutral
Formula: C₂₁H₂₄N₂O₃

SMILES:

O(CC(=O)N1CCCCC1)c1ccc(cc1)C(=O)NCc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9107 kcal/mol

Physical Properties
Molecular Weight: 352.434 g/mol	logS: -4.17002	SlogP: 3.2743	Reactive groups: 0

Topological Properties
Globularity: 0.030407	Sterimol/B1: 2.49957	Sterimol/B2: 3.59129	Sterimol/B3: 3.81155
Sterimol/B4: 8.79892	Sterimol/L: 18.8988

Surface and Volume Properties
Accessible surface: 660.968	Positive charged surface: 424.048	Negative charged surface: 236.92	Volume: 351.875
Hydrophobic surface: 572.443	Hydrophilic surface: 88.525

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.