Molecular Properties | |
SMILES: | CN(CCC#N)CC(F)(F)C(=O)N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 527.15 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 107.35 |
cLogP: | 4.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
EDG-MED-971238d3-4
EDG-MED-90036822-110
0.813
EDG-MED-90036822-87
0.800
EDG-MED-90036822-84
0.716
EDG-MED-90036822-52
0.696
EDG-MED-90036822-30
0.684
EDG-MED-90036822-38
0.684
EDG-MED-90036822-1
0.681
EDG-MED-90036822-105
0.681
EDG-MED-90036822-39
0.678
EDG-MED-90036822-46
0.678
EDG-MED-90036822-40
0.675
EDG-MED-90036822-71
0.672
EDG-MED-90036822-86
0.667
EDG-MED-90036822-56
0.667
EDG-MED-90036822-16
0.652
EDG-MED-90036822-62
0.652
EDG-MED-90036822-17
0.652
EDG-MED-90036822-80
0.646
EDG-MED-90036822-100
0.645
EDG-MED-90036822-21
0.643
EDG-MED-90036822-13
0.642
EDG-MED-90036822-67
0.641
EDG-MED-90036822-45
0.639
EDG-MED-90036822-2
0.636
EDG-MED-90036822-106
0.632
EDG-MED-90036822-28
0.631
EDG-MED-90036822-29
0.631
EDG-MED-90036822-63
0.631
EDG-MED-90036822-51
0.629
EDG-MED-90036822-34
0.628
EDG-MED-90036822-9
0.628
EDG-MED-90036822-37
0.626
EDJ-MED-6864a934-5
0.625
EDG-MED-90036822-24
0.625
EDG-MED-90036822-5
0.623
EDG-MED-90036822-44
0.623
EDG-MED-90036822-4
0.623
EDG-MED-90036822-15
0.623
EDG-MED-90036822-3
0.623
EDG-MED-90036822-47
0.623
EDG-MED-90036822-48
0.623
EDG-MED-90036822-10
0.619
EDG-MED-90036822-11
0.619
EDG-MED-90036822-33
0.617
EDG-MED-90036822-68
0.615
EDG-MED-90036822-27
0.612
MAT-POS-2905de8c-2
0.611
EDG-MED-90036822-102
0.610
EDJ-MED-6864a934-9
0.610
EDJ-MED-6864a934-1
0.607
EDG-MED-90036822-76
0.605
EDG-MED-90036822-77
0.605
EDG-MED-90036822-61
0.603
EDG-MED-90036822-59
0.602
EDG-MED-90036822-58
0.602
EDG-MED-90036822-94
0.600
EDJ-MED-6864a934-10
0.598
EDG-MED-90036822-78
0.597
EDG-MED-90036822-74
0.595
EDG-MED-90036822-81
0.595
EDG-MED-90036822-75
0.595
EDG-MED-90036822-103
0.595
EDG-MED-90036822-66
0.593
EDG-MED-90036822-72
0.593
EDG-MED-90036822-57
0.592
EDG-MED-90036822-96
0.592
EDG-MED-90036822-108
0.590
ALP-UNI-dbbfd3db-7
0.589
EDG-MED-90036822-32
0.588
EDG-MED-90036822-99
0.587
EDG-MED-90036822-43
0.587
EDG-MED-90036822-79
0.587
EDG-MED-90036822-101
0.587
EDJ-MED-6864a934-4
0.585
EDG-MED-90036822-107
0.583
EDG-MED-90036822-85
0.583
EDG-MED-90036822-22
0.583
EDG-MED-90036822-88
0.582
ALP-UNI-dbbfd3db-14
0.579
VLA-UCB-34f3ed0c-4
0.579
EDG-MED-90036822-18
0.579
EDG-MED-90036822-35
0.579
EDG-MED-90036822-31
0.577
EDG-MED-90036822-65
0.577
EDG-MED-90036822-54
0.577
EDG-MED-90036822-8
0.577
EDG-MED-90036822-49
0.574
EDG-MED-90036822-83
0.574
EDJ-MED-6d9ff7d0-9
0.573
EDG-MED-90036822-82
0.573
EDG-MED-90036822-95
0.573
EDG-MED-90036822-25
0.573
ALP-UNI-dbbfd3db-8
0.571
EDG-MED-90036822-14
0.571
EDG-MED-90036822-36
0.569
EDG-MED-90036822-50
0.569
EDG-MED-90036822-60
0.569
EDG-MED-90036822-90
0.569
EDG-MED-90036822-26
0.568
EDG-MED-90036822-41
0.568