Molecular Properties | |
SMILES: | CN1C[C@H](F)C[C@H]1C(=O)N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 482.15 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 83.56 |
cLogP: | 3.66 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
EDG-MED-971238d3-4
EDG-MED-90036822-74
1.000
EDG-MED-90036822-86
0.729
EDG-MED-90036822-83
0.726
EDG-MED-90036822-85
0.724
EDG-MED-90036822-65
0.713
EDG-MED-90036822-63
0.703
EDG-MED-90036822-29
0.703
EDG-MED-90036822-28
0.703
EDG-MED-90036822-94
0.694
EDG-MED-90036822-15
0.692
EDG-MED-90036822-11
0.689
EDG-MED-90036822-10
0.689
EDG-MED-90036822-100
0.686
EDG-MED-90036822-33
0.686
EDG-MED-90036822-76
0.685
EDG-MED-90036822-77
0.685
EDG-MED-90036822-64
0.685
EDG-MED-90036822-42
0.685
EDG-MED-90036822-13
0.683
EDG-MED-90036822-34
0.683
EDG-MED-90036822-24
0.680
EDG-MED-90036822-37
0.679
EDG-MED-90036822-73
0.679
EDG-MED-90036822-109
0.679
EDG-MED-90036822-2
0.676
EDG-MED-90036822-3
0.676
EDG-MED-90036822-17
0.676
EDG-MED-90036822-5
0.676
EDG-MED-90036822-4
0.676
EDG-MED-90036822-16
0.676
EDG-MED-90036822-47
0.676
EDG-MED-90036822-48
0.676
EDG-MED-90036822-80
0.670
EDG-MED-90036822-35
0.670
EDG-MED-90036822-98
0.670
EDG-MED-90036822-9
0.667
EDG-MED-90036822-21
0.667
MAT-POS-2905de8c-2
0.667
ALP-UNI-dbbfd3db-15
0.667
EDG-MED-90036822-51
0.667
ALP-UNI-dbbfd3db-4
0.664
ALP-UNI-dbbfd3db-13
0.664
EDG-MED-90036822-101
0.664
EDG-MED-90036822-25
0.661
EDG-MED-90036822-78
0.661
EDG-MED-90036822-102
0.661
EDG-MED-90036822-62
0.660
EDG-MED-90036822-44
0.660
EDG-MED-90036822-7
0.658
EDG-MED-90036822-103
0.658
EDG-MED-90036822-66
0.657
EDG-MED-90036822-72
0.657
EDG-MED-90036822-26
0.655
EDG-MED-90036822-61
0.654
EDG-MED-90036822-58
0.651
EDG-MED-90036822-32
0.651
EDG-MED-90036822-68
0.651
EDG-MED-90036822-87
0.651
EDG-MED-90036822-59
0.651
EDG-MED-90036822-19
0.649
EDG-MED-90036822-70
0.649
EDG-MED-90036822-69
0.649
EDG-MED-90036822-79
0.649
EDG-MED-90036822-99
0.649
EDJ-MED-6864a934-10
0.648
EDG-MED-90036822-84
0.648
EDG-MED-90036822-107
0.645
EDG-MED-90036822-56
0.645
EDG-MED-90036822-60
0.643
EDG-MED-90036822-81
0.643
EDG-MED-90036822-36
0.643
EDJ-MED-6864a934-1
0.642
EDG-MED-90036822-40
0.640
EDG-MED-90036822-96
0.640
EDG-MED-90036822-57
0.640
EDG-MED-90036822-106
0.640
EDG-MED-90036822-97
0.638
EDG-MED-90036822-54
0.637
EDG-MED-90036822-108
0.637
EDG-MED-90036822-110
0.637
EDG-MED-90036822-55
0.635
EDG-MED-90036822-43
0.634
EDG-MED-90036822-67
0.634
EDG-MED-90036822-105
0.632
EDG-MED-90036822-95
0.632
EDG-MED-90036822-46
0.629
EDG-MED-90036822-14
0.629
EDG-MED-90036822-88
0.628
EDG-MED-90036822-90
0.628
ALP-UNI-dbbfd3db-6
0.627
MAT-POS-24589f88-11
0.627
EDG-MED-90036822-41
0.626
VLA-UCB-34f3ed0c-4
0.625
EDG-MED-90036822-18
0.625
ALP-UNI-dbbfd3db-18
0.624
EDG-MED-90036822-20
0.623
EDG-MED-90036822-8
0.623
EDG-MED-90036822-30
0.621
EDG-MED-90036822-38
0.621
EDG-MED-90036822-49
0.619