Molecular Properties | |
SMILES: | COc1cc(Cl)cc2c1OCC(C)(C)[C@@]2(C)C(=O)Nc1cncc2ccccc12 |
MW: | 410.14 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 5.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0d514e7d-30
0.626
DAR-DIA-0d514e7d-25
0.625
DAR-DIA-0d514e7d-26
0.625
BEN-DND-a7517465-4
0.542
DAR-DIA-6a508060-10
0.542
MAT-POS-8e4737f4-1
0.542
EDJ-MED-e4b030d8-13
0.542
MAT-POS-2e8b2191-5
0.520
DAR-DIA-0d514e7d-2
0.510
DAR-DIA-0d514e7d-1
0.510
MAR-UCB-6ab2ec87-3
0.505
EDJ-MED-d08626de-1
0.505
PET-UNK-29afea89-2
0.505
EDJ-MED-d08626de-2
0.505
EDG-MED-0e5afe9d-3
0.505
PET-UNK-81b485b5-15
0.505
PET-UNK-81b485b5-1
0.505
MAT-POS-2e8b2191-4
0.500
RAL-THA-e002e396-11
0.495
MAT-POS-83f73d0a-3
0.495
EDJ-MED-e4b030d8-1
0.495
VLA-UCB-1dbca3b4-14
0.495
MAT-POS-2905de8c-3
0.495
PET-UNK-1abb40f2-4
0.490
PET-UNK-1abb40f2-2
0.490
EDG-MED-971238d3-6
0.490
DAR-DIA-6a508060-4
0.490
MAT-POS-43fe65f4-1
0.490
EDJ-MED-e4b030d8-7
0.490
RAL-THA-05e671eb-19
0.490
EDJ-MED-28ec730d-1
0.486
PET-UNK-3bb57da2-3
0.486
MAT-POS-45b13633-5
0.486
EDJ-MED-28ec730d-2
0.486
PET-UNK-824b5c6a-1
0.486
EDG-MED-971238d3-5
0.485
MAT-POS-e6dd326d-1
0.485
MAT-POS-2bb0cf2b-1
0.485
MAT-POS-45b13633-1
0.485
EDG-MED-971238d3-11
0.485
MAT-POS-2905de8c-2
0.485
EDJ-MED-2f867453-1
0.485
RAL-THA-e002e396-5
0.481
ALP-POS-fe871b40-3
0.481
RAL-THA-e002e396-1
0.481
RAL-THA-e002e396-2
0.481
MAT-POS-45b13633-2
0.481
MAT-POS-e6dd326d-2
0.481
EDG-MED-90036822-86
0.480
RAL-THA-176e263b-4
0.480
MAT-POS-22e8b45a-2
0.480
EDG-MED-971238d3-1
0.480
MAT-POS-9db1e783-1
0.480
EDJ-MED-9e38fd34-2
0.480
EDJ-MED-9e38fd34-1
0.480
EDJ-MED-9e38fd34-3
0.480
ED_-GRI-5b13fbe2-40
0.477
ED_-GRI-5b13fbe2-41
0.477
MAT-POS-e6dd326d-6
0.477
EDG-MED-4c68219f-10
0.477
EDG-MED-971238d3-7
0.477
MAT-POS-e6dd326d-4
0.477
RAL-THA-58fba2bc-1
0.476
EDG-MED-971238d3-10
0.476
MAT-POS-45b13633-4
0.476
PET-UNK-c0891748-1
0.476
DAR-DIA-0d514e7d-28
0.476
DAR-DIA-0d514e7d-29
0.476
EDG-MED-971238d3-2
0.476
PET-UNK-c0891748-7
0.476
MAT-POS-9db1e783-2
0.476
ALP-POS-fe871b40-7
0.476
EDJ-MED-37aac4bd-5
0.476
EDG-MED-90036822-33
0.473
PET-UNK-824b5c6a-2
0.472
PET-UNK-10c83c8b-1
0.472
MAT-POS-e6dd326d-3
0.472
MAT-POS-45b13633-3
0.472
JOH-UNI-e398da21-1
0.471
MAT-POS-c7771779-2
0.471
MIC-UNK-ea4eb352-3
0.471
MAT-POS-89e65850-1
0.471
PET-UNK-9bf1291a-3
0.471
MIC-UNK-6e9f8a43-2
0.471
MAT-POS-d8472c4f-3
0.471
EDJ-MED-70ab3faf-1
0.471
EDG-MED-971238d3-4
0.471
MAT-POS-2905de8c-1
0.471
PET-UNK-407a74a5-5
0.471
MAT-POS-3b97339c-2
0.471
EDJ-MED-424a8a89-1
0.468
MAT-POS-e6dd326d-10
0.468
EDJ-MED-15e90dfc-3
0.468
PET-UNK-4880b143-1
0.468
EDG-MED-90036822-34
0.468
RAL-THA-e002e396-12
0.468
PET-UNK-3bb57da2-1
0.468
EDG-MED-90036822-28
0.467
EDG-MED-90036822-29
0.467
PET-UNK-c0891748-5
0.467