Molecular Properties | |
SMILES: | O=C(Cc1c[nH]cn1)N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 461.13 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 109.0 |
cLogP: | 3.59 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
EDG-MED-971238d3-4
EDG-MED-90036822-93
0.832
VLA-UCB-34f3ed0c-4
0.767
EDG-MED-90036822-2
0.763
EDG-MED-90036822-13
0.753
EDG-MED-90036822-49
0.743
EDG-MED-90036822-100
0.737
EDG-MED-90036822-31
0.729
EDG-MED-90036822-21
0.716
EDG-MED-90036822-9
0.716
EDG-MED-90036822-34
0.716
EDG-MED-90036822-41
0.716
EDG-MED-90036822-86
0.711
EDG-MED-90036822-62
0.709
EDG-MED-90036822-56
0.709
EDG-MED-90036822-61
0.702
EDG-MED-90036822-58
0.698
EDG-MED-90036822-59
0.698
EDG-MED-90036822-82
0.691
EDG-MED-90036822-96
0.685
EDG-MED-90036822-18
0.685
EDG-MED-90036822-57
0.685
EDG-MED-90036822-68
0.682
EDG-MED-90036822-54
0.682
EDG-MED-90036822-11
0.673
EDG-MED-90036822-10
0.673
EDG-MED-90036822-66
0.673
EDG-MED-90036822-88
0.673
EDG-MED-90036822-29
0.670
EDG-MED-90036822-28
0.670
EDG-MED-90036822-63
0.670
EDG-MED-90036822-106
0.670
EDG-MED-90036822-43
0.664
EDG-MED-90036822-24
0.663
EDG-MED-90036822-16
0.660
EDG-MED-90036822-15
0.660
EDG-MED-90036822-17
0.660
EDG-MED-90036822-44
0.660
EDG-MED-90036822-3
0.660
EDG-MED-90036822-4
0.660
EDG-MED-90036822-47
0.660
EDG-MED-90036822-48
0.660
EDG-MED-90036822-5
0.660
EDG-MED-90036822-72
0.657
ALP-UNI-dbbfd3db-1
0.655
ALP-UNI-dbbfd3db-5
0.655
EDG-MED-90036822-33
0.654
ALP-UNI-dbbfd3db-18
0.652
EDG-MED-90036822-32
0.651
MAT-POS-2905de8c-2
0.650
ALP-UNI-dbbfd3db-7
0.649
EDG-MED-90036822-109
0.649
KAD-UNI-8a629cb0-40
0.649
ALP-UNI-dbbfd3db-10
0.649
EDG-MED-90036822-27
0.646
EDG-MED-90036822-107
0.645
ALP-UNI-dbbfd3db-8
0.643
EDJ-MED-6864a934-1
0.642
EDG-MED-90036822-76
0.640
EDG-MED-90036822-77
0.640
EDG-MED-90036822-80
0.639
EDG-MED-90036822-89
0.638
EDG-MED-90036822-97
0.638
ALP-UNI-dbbfd3db-17
0.636
EDG-MED-90036822-87
0.636
EDG-MED-90036822-51
0.636
EDG-MED-90036822-67
0.634
EDG-MED-90036822-101
0.634
EDG-MED-90036822-37
0.633
EDJ-MED-6864a934-10
0.633
EDG-MED-90036822-84
0.633
ALP-UNI-dbbfd3db-12
0.632
EDJ-MED-6864a934-5
0.632
EDJ-MED-6864a934-3
0.632
EDG-MED-90036822-102
0.631
EDG-MED-90036822-6
0.629
KAD-UNI-8a629cb0-13
0.629
ALP-UNI-dbbfd3db-3
0.629
EDG-MED-90036822-81
0.628
EDG-MED-90036822-35
0.625
ALP-UNI-dbbfd3db-14
0.624
EDG-MED-90036822-8
0.623
EDG-MED-90036822-20
0.623
EDG-MED-90036822-65
0.623
EDG-MED-90036822-19
0.621
EDJ-MED-6864a934-7
0.621
ALP-UNI-dbbfd3db-16
0.620
EDG-MED-90036822-83
0.619
EDG-MED-90036822-99
0.619
EDG-MED-90036822-79
0.619
EDG-MED-90036822-104
0.619
EDG-MED-90036822-25
0.617
EDG-MED-90036822-45
0.617
EDG-MED-90036822-95
0.617
EDG-MED-90036822-105
0.617
EDJ-MED-6864a934-2
0.617
ALP-UNI-dbbfd3db-11
0.617
EDG-MED-90036822-78
0.616
EDG-MED-90036822-85
0.616
EDJ-MED-6864a934-9
0.615
EDG-MED-90036822-60
0.614