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MMsINC code: MMs00837848

Type: Neutral
Formula: C₁₇H₂₆N₂O₂

SMILES:

O(C)c1cc(ccc1)C(=O)NC1CC(NC(C1)(C)C)(C)C

InChI:

InChI=1/C17H26N2O2/c1-16(2)10-13(11-17(3,4)19-16)18-15(20)12-7-6-8-14(9-12)21-5/h6-9,13,19H,10-11H2,1-5H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.5285 kcal/mol

Physical Properties
Molecular Weight: 290.407 g/mol	logS: -3.20955	SlogP: 2.7342	Reactive groups: 0

Topological Properties
Globularity: 0.0820008	Sterimol/B1: 1.969	Sterimol/B2: 3.69262	Sterimol/B3: 5.53203
Sterimol/B4: 5.86289	Sterimol/L: 16.4222

Surface and Volume Properties
Accessible surface: 555.839	Positive charged surface: 387.805	Negative charged surface: 168.034	Volume: 303.875
Hydrophobic surface: 436.652	Hydrophilic surface: 119.187

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00837849
CHEMDIV-ZINC00195331