MMsINC Database Search


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MMsINC code: MMs00926511

Type: Neutral
Formula: C₁₉H₂₄N₂O₃

SMILES:

O(CC(=O)NC1CCCCC1)C1=CC(=O)N(c2c1cccc2)CC

InChI:

InChI=1/C19H24N2O3/c1-2-21-16-11-7-6-10-15(16)17(12-19(21)23)24-13-18(22)20-14-8-4-3-5-9-14/h6-7,10-12,14H,2-5,8-9,13H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9931 kcal/mol

Physical Properties
Molecular Weight: 328.412 g/mol	logS: -4.16653	SlogP: 2.8595	Reactive groups: 0

Topological Properties
Globularity: 0.0335134	Sterimol/B1: 2.47272	Sterimol/B2: 3.12848	Sterimol/B3: 4.59327
Sterimol/B4: 7.32814	Sterimol/L: 18.379

Surface and Volume Properties
Accessible surface: 600.448	Positive charged surface: 417.581	Negative charged surface: 182.868	Volume: 325.5
Hydrophobic surface: 495.964	Hydrophilic surface: 104.484

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.