Molecular Properties | |
SMILES: | O=C(N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)C(F)n1ccnc1 |
MW: | 479.12 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 98.14 |
cLogP: | 3.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
alpha_halo_amine
alpha_halo_heteroatom
Dipeptide
EDG-MED-971238d3-4
EDG-MED-90036822-60
0.804
EDG-MED-90036822-63
0.773
EDG-MED-90036822-3
0.760
EDG-MED-90036822-4
0.760
EDG-MED-90036822-15
0.760
EDG-MED-90036822-29
0.737
EDG-MED-90036822-28
0.737
EDG-MED-90036822-33
0.735
EDG-MED-90036822-37
0.728
EDG-MED-90036822-5
0.725
EDG-MED-90036822-16
0.725
EDG-MED-90036822-17
0.725
EDG-MED-90036822-102
0.724
EDG-MED-90036822-78
0.724
EDG-MED-90036822-10
0.723
EDG-MED-90036822-11
0.723
EDG-MED-90036822-18
0.717
EDG-MED-90036822-86
0.711
EDG-MED-90036822-99
0.710
EDG-MED-90036822-19
0.709
EDG-MED-90036822-47
0.709
EDG-MED-90036822-48
0.709
EDG-MED-90036822-25
0.706
EDG-MED-90036822-81
0.704
EDG-MED-90036822-100
0.703
EDG-MED-90036822-80
0.702
EDG-MED-90036822-35
0.701
EDG-MED-90036822-26
0.700
EDG-MED-90036822-13
0.700
EDG-MED-90036822-51
0.698
EDG-MED-90036822-54
0.697
EDJ-MED-6864a934-10
0.695
EDG-MED-90036822-94
0.694
EDG-MED-90036822-2
0.693
EDG-MED-90036822-34
0.683
EDG-MED-90036822-108
0.682
EDG-MED-90036822-8
0.682
EDG-MED-90036822-20
0.682
EDG-MED-90036822-24
0.680
EDG-MED-90036822-101
0.679
EDG-MED-90036822-95
0.676
EDG-MED-90036822-90
0.673
EDG-MED-90036822-61
0.670
EDG-MED-90036822-57
0.670
EDG-MED-90036822-53
0.670
EDG-MED-90036822-59
0.667
EDG-MED-90036822-21
0.667
EDG-MED-90036822-58
0.667
EDG-MED-90036822-9
0.667
EDG-MED-90036822-43
0.664
EDG-MED-90036822-44
0.660
EDG-MED-90036822-62
0.660
EDG-MED-90036822-56
0.660
EDG-MED-90036822-88
0.658
EDG-MED-90036822-91
0.655
EDG-MED-90036822-64
0.655
EDG-MED-90036822-96
0.655
ALP-UNI-dbbfd3db-15
0.652
MAT-POS-2905de8c-2
0.650
EDG-MED-90036822-84
0.648
EDG-MED-90036822-27
0.646
EDG-MED-90036822-85
0.645
EDG-MED-90036822-14
0.643
EDG-MED-90036822-75
0.643
EDG-MED-90036822-74
0.643
EDG-MED-90036822-66
0.642
EDG-MED-90036822-72
0.642
EDJ-MED-6864a934-1
0.642
EDG-MED-90036822-98
0.641
EDG-MED-90036822-41
0.640
EDG-MED-90036822-76
0.640
EDG-MED-90036822-77
0.640
EDG-MED-90036822-106
0.640
EDG-MED-90036822-65
0.637
EDG-MED-90036822-68
0.636
EDG-MED-90036822-87
0.636
EDG-MED-90036822-32
0.636
ALP-UNI-dbbfd3db-9
0.636
KAD-UNI-8a629cb0-37
0.636
EDG-MED-90036822-109
0.635
ALP-UNI-dbbfd3db-7
0.635
EDG-MED-90036822-73
0.634
EDG-MED-90036822-83
0.634
EDG-MED-90036822-45
0.632
EDJ-MED-6864a934-3
0.632
EDJ-MED-6864a934-4
0.632
EDJ-MED-6864a934-5
0.632
EDG-MED-90036822-107
0.631
VLA-UCB-34f3ed0c-4
0.625
EDG-MED-90036822-97
0.624
EDG-MED-90036822-31
0.623
EDG-MED-90036822-110
0.623
EDG-MED-90036822-67
0.619
EDG-MED-90036822-79
0.619
EDG-MED-90036822-49
0.619
EDG-MED-90036822-82
0.617
EDJ-MED-6864a934-2
0.617
ALP-UNI-dbbfd3db-8
0.615
EDJ-MED-6864a934-9
0.615
ALP-UNI-dbbfd3db-3
0.615