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MMsINC code: MMs00833036

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.4642 kcal/mol

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

Topological Properties
Globularity: 0.0770881	Sterimol/B1: 1.98338	Sterimol/B2: 3.69144	Sterimol/B3: 3.79726
Sterimol/B4: 10.4772	Sterimol/L: 14.9572

Surface and Volume Properties
Accessible surface: 592.734	Positive charged surface: 470.782	Negative charged surface: 116.4	Volume: 336.625
Hydrophobic surface: 532.152	Hydrophilic surface: 60.582

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

MMs00833037
CHEMDIV-ZINC00106565