MMsINC Database Search


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MMsINC code: MMs00497626

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(C)c1cc(ccc1OC)C(=O)N1CCN(CC1)c1ccc(cc1)C

InChI:

InChI=1/C20H24N2O3/c1-15-4-7-17(8-5-15)21-10-12-22(13-11-21)20(23)16-6-9-18(24-2)19(14-16)25-3/h4-9,14H,10-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=180.481 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -3.87029	SlogP: 2.97462	Reactive groups: 0

Topological Properties
Globularity: 0.106222	Sterimol/B1: 3.12904	Sterimol/B2: 3.85336	Sterimol/B3: 5.72675
Sterimol/B4: 5.93788	Sterimol/L: 18.4161

Surface and Volume Properties
Accessible surface: 612.568	Positive charged surface: 448.106	Negative charged surface: 164.463	Volume: 338.875
Hydrophobic surface: 550.312	Hydrophilic surface: 62.256

Pharmacophoric Properties
Hydrogen bond donors: 0	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.