Molecular Properties | |
SMILES: | NC[C@@]1(F)CC[C@H](C(=O)N[C@@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)C1 |
MW: | 496.17 |
Fraction sp3: | 0.35 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 106.34 |
cLogP: | 4.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
EDG-MED-971238d3-4
EDG-MED-90036822-70
1.000
EDG-MED-90036822-76
0.788
EDG-MED-90036822-77
0.788
EDG-MED-90036822-103
0.741
EDG-MED-90036822-65
0.718
EDG-MED-90036822-85
0.713
EDG-MED-90036822-83
0.700
EDG-MED-90036822-2
0.699
EDG-MED-90036822-15
0.698
EDG-MED-90036822-3
0.698
EDG-MED-90036822-4
0.698
EDG-MED-90036822-100
0.692
EDG-MED-90036822-64
0.690
EDG-MED-90036822-86
0.683
EDG-MED-90036822-5
0.682
EDG-MED-90036822-7
0.678
EDG-MED-90036822-63
0.676
EDG-MED-90036822-13
0.673
EDG-MED-90036822-24
0.670
EDG-MED-90036822-101
0.670
EDG-MED-90036822-16
0.667
EDG-MED-90036822-17
0.667
EDG-MED-90036822-44
0.667
EDG-MED-90036822-11
0.664
EDG-MED-90036822-10
0.664
EDG-MED-90036822-42
0.661
EDG-MED-90036822-29
0.660
EDG-MED-90036822-28
0.660
ALP-UNI-dbbfd3db-15
0.658
EDG-MED-90036822-51
0.658
EDG-MED-90036822-34
0.657
EDG-MED-90036822-73
0.655
EDG-MED-90036822-102
0.652
EDG-MED-90036822-78
0.652
EDG-MED-90036822-75
0.649
EDG-MED-90036822-74
0.649
EDG-MED-90036822-106
0.646
EDG-MED-90036822-35
0.646
EDG-MED-90036822-96
0.646
EDG-MED-90036822-33
0.645
EDG-MED-90036822-108
0.643
EDG-MED-90036822-58
0.643
EDG-MED-90036822-59
0.643
EDG-MED-90036822-68
0.643
EDG-MED-90036822-21
0.642
EDG-MED-90036822-9
0.642
ALP-UNI-dbbfd3db-4
0.642
EDG-MED-90036822-94
0.640
EDG-MED-90036822-99
0.640
EDG-MED-90036822-37
0.640
EDG-MED-90036822-62
0.636
EDG-MED-90036822-47
0.636
EDG-MED-90036822-48
0.636
EDG-MED-90036822-56
0.636
EDG-MED-90036822-88
0.635
EDG-MED-90036822-81
0.635
EDG-MED-90036822-72
0.634
MAT-POS-24589f88-11
0.633
EDG-MED-90036822-98
0.633
ALP-UNI-dbbfd3db-6
0.633
EDG-MED-90036822-57
0.632
EDG-MED-90036822-61
0.631
EDG-MED-90036822-80
0.631
EDG-MED-90036822-20
0.629
EDG-MED-90036822-87
0.628
MAT-POS-2905de8c-2
0.625
EDJ-MED-6864a934-10
0.625
EDG-MED-90036822-84
0.625
EDG-MED-90036822-27
0.624
EDG-MED-90036822-95
0.624
EDG-MED-90036822-105
0.624
EDG-MED-90036822-107
0.623
EDG-MED-90036822-90
0.621
EDG-MED-90036822-66
0.619
EDJ-MED-6864a934-1
0.619
EDG-MED-90036822-91
0.619
EDJ-MED-6864a934-6
0.618
EDG-MED-90036822-8
0.615
EDG-MED-90036822-32
0.614
EDG-MED-90036822-109
0.613
EDG-MED-90036822-55
0.613
EDG-MED-90036822-43
0.612
EDG-MED-90036822-1
0.610
EDG-MED-90036822-25
0.610
EDG-MED-90036822-36
0.607
EDG-MED-90036822-40
0.605
VLA-UCB-34f3ed0c-4
0.603
EDG-MED-90036822-18
0.603
EDG-MED-90036822-89
0.603
EDG-MED-90036822-110
0.602
ALP-UNI-dbbfd3db-13
0.602
EDG-MED-90036822-30
0.600
ALP-UNI-dbbfd3db-12
0.598
EDG-MED-90036822-49
0.598
EDG-MED-90036822-67
0.598
EDG-MED-90036822-79
0.598
EDG-MED-90036822-52
0.597
EDJ-MED-6864a934-5
0.597
KAD-UNI-8a629cb0-13
0.595
EDG-MED-90036822-6
0.595