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MMsINC code: MMs00833034

Type: Neutral
Formula: C₁₉H₂₅N₃O₃

SMILES:

O1CCN(CC1)CC(O)Cn1c2c(CCN(C)C2=O)c2c1cccc2

InChI:

InChI=1/C19H25N3O3/c1-20-7-6-16-15-4-2-3-5-17(15)22(18(16)19(20)24)13-14(23)12-21-8-10-25-11-9-21/h2-5,14,23H,6-13H2,1H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7721 kcal/mol

Physical Properties
Molecular Weight: 343.427 g/mol	logS: -1.93255	SlogP: 1.22887	Reactive groups: 0

Topological Properties
Globularity: 0.0864033	Sterimol/B1: 1.97425	Sterimol/B2: 3.19374	Sterimol/B3: 4.27918
Sterimol/B4: 10.7415	Sterimol/L: 15.098

Surface and Volume Properties
Accessible surface: 594.227	Positive charged surface: 470.07	Negative charged surface: 118.69	Volume: 336.5
Hydrophobic surface: 526.805	Hydrophilic surface: 67.422

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00833035
CHEMDIV-ZINC00106559