MMsINC Database Search


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MMsINC code: MMs01366534

Type: Neutral
Formula: C₁₉H₂₄N₂O₃

SMILES:

O(C(=O)c1n(ccc1)C)CC(=O)N(Cc1ccccc1)C(C)(C)C

InChI:

InChI=1/C19H24N2O3/c1-19(2,3)21(13-15-9-6-5-7-10-15)17(22)14-24-18(23)16-11-8-12-20(16)4/h5-12H,13-14H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.722 kcal/mol

Physical Properties
Molecular Weight: 328.412 g/mol	logS: -3.07287	SlogP: 3.6348	Reactive groups: 0

Topological Properties
Globularity: 0.0840366	Sterimol/B1: 3.22914	Sterimol/B2: 3.52157	Sterimol/B3: 3.78357
Sterimol/B4: 8.16909	Sterimol/L: 16.0267

Surface and Volume Properties
Accessible surface: 579.064	Positive charged surface: 356.7	Negative charged surface: 222.364	Volume: 333.875
Hydrophobic surface: 447.5	Hydrophilic surface: 131.564

Pharmacophoric Properties
Hydrogen bond donors: 0	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.