MMsINC Database Search


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MMsINC code: MMs02307434

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

O(C(=O)c1ccc(NC(=O)CN(C)c2ccccc2)cc1)CC(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.492 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -4.4212	SlogP: 3.5743	Reactive groups: 0

Topological Properties
Globularity: 0.0411157	Sterimol/B1: 2.98049	Sterimol/B2: 4.28429	Sterimol/B3: 4.61648
Sterimol/B4: 4.79545	Sterimol/L: 20.1223

Surface and Volume Properties
Accessible surface: 645.218	Positive charged surface: 427.802	Negative charged surface: 217.416	Volume: 346.875
Hydrophobic surface: 523.189	Hydrophilic surface: 122.029

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.