Molecular Properties | |
SMILES: | O=C(N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)c1nccn2ccnc12 |
MW: | 498.12 |
Fraction sp3: | 0.12 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 110.51 |
cLogP: | 3.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
EDJ-MED-6864a934-3
0.709
EDG-MED-90036822-86
0.697
EDG-MED-90036822-32
0.685
EDG-MED-90036822-13
0.670
EDG-MED-90036822-24
0.667
EDG-MED-90036822-79
0.667
EDG-MED-90036822-2
0.663
EDG-MED-90036822-11
0.660
EDG-MED-90036822-10
0.660
EDG-MED-90036822-29
0.657
EDG-MED-90036822-28
0.657
EDG-MED-90036822-63
0.657
EDG-MED-90036822-100
0.657
EDJ-MED-6864a934-5
0.649
EDG-MED-90036822-16
0.648
EDG-MED-90036822-17
0.648
EDG-MED-90036822-47
0.648
EDG-MED-90036822-48
0.648
EDG-MED-90036822-66
0.645
EDG-MED-90036822-72
0.645
EDJ-MED-6864a934-1
0.645
EDG-MED-90036822-41
0.643
EDG-MED-90036822-18
0.643
EDG-MED-90036822-61
0.642
EDG-MED-90036822-21
0.639
EDG-MED-90036822-9
0.639
EDG-MED-90036822-34
0.639
EDG-MED-90036822-19
0.638
MAT-POS-2905de8c-2
0.637
EDJ-MED-6864a934-10
0.636
EDG-MED-90036822-107
0.634
EDG-MED-90036822-62
0.633
EDG-MED-90036822-15
0.633
EDG-MED-90036822-44
0.633
EDG-MED-90036822-3
0.633
EDG-MED-90036822-4
0.633
EDG-MED-90036822-5
0.633
EDG-MED-90036822-56
0.633
EDG-MED-90036822-60
0.632
EDG-MED-90036822-36
0.632
EDG-MED-90036822-33
0.627
EDG-MED-90036822-80
0.627
EDG-MED-90036822-54
0.626
EDG-MED-90036822-87
0.625
EDG-MED-90036822-51
0.625
EDG-MED-90036822-55
0.624
EDJ-MED-6864a934-7
0.624
EDG-MED-90036822-83
0.623
EDG-MED-90036822-37
0.622
EDG-MED-90036822-84
0.622
EDG-MED-90036822-45
0.621
EDJ-MED-6864a934-2
0.621
EDJ-MED-6864a934-9
0.619
EDG-MED-90036822-75
0.617
EDG-MED-90036822-74
0.617
EDG-MED-90036822-23
0.615
EDG-MED-90036822-57
0.614
EDG-MED-90036822-31
0.612
EDG-MED-90036822-58
0.611
EDG-MED-90036822-59
0.611
EDG-MED-90036822-68
0.611
EDG-MED-90036822-43
0.609
EDG-MED-90036822-67
0.609
EDG-MED-90036822-73
0.609
EDG-MED-90036822-99
0.609
EDG-MED-90036822-82
0.607
EDG-MED-90036822-25
0.607
EDG-MED-90036822-52
0.607
EDG-MED-90036822-105
0.607
EDG-MED-90036822-78
0.605
EDG-MED-90036822-102
0.605
EDG-MED-90036822-85
0.605
EDG-MED-90036822-6
0.605
EDG-MED-90036822-46
0.605
EDJ-MED-6864a934-8
0.605
EDG-MED-90036822-103
0.603
EDG-MED-90036822-90
0.603
EDG-MED-90036822-50
0.603
EDG-MED-90036822-40
0.602
VLA-UCB-34f3ed0c-4
0.600
EDG-MED-90036822-106
0.600
EDG-MED-90036822-96
0.600
EDG-MED-90036822-35
0.600
EDG-MED-90036822-76
0.600
EDG-MED-90036822-71
0.600
EDG-MED-90036822-77
0.600
EDG-MED-90036822-93
0.598
EDG-MED-90036822-65
0.598
EDG-MED-90036822-110
0.598
EDG-MED-90036822-30
0.597
ALP-UNI-dbbfd3db-7
0.597
EDG-MED-90036822-104
0.595
ALP-UNI-dbbfd3db-12
0.595
EDG-MED-90036822-49
0.595
EDG-MED-90036822-94
0.595
EDG-MED-90036822-101
0.595
EDG-MED-90036822-1
0.593
EDJ-MED-6d9ff7d0-4
0.593
EDG-MED-90036822-14
0.592
ALP-UNI-dbbfd3db-8
0.592