Molecular Properties | |
SMILES: | O=C(Cn1cc(Cl)c(=O)[nH]c1=O)N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 539.08 |
Fraction sp3: | 0.16 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 135.18 |
cLogP: | 2.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter82_pyridinium
Dipeptide
KAD-UNI-8a629cb0-40
1.000
ALP-UNI-dbbfd3db-11
0.800
EDG-MED-90036822-61
0.724
EDG-MED-90036822-13
0.723
EDG-MED-90036822-2
0.716
EDG-MED-90036822-43
0.716
EDG-MED-90036822-100
0.709
EDG-MED-90036822-18
0.706
EDG-MED-90036822-34
0.705
ALP-UNI-dbbfd3db-18
0.702
ALP-UNI-dbbfd3db-12
0.696
EDG-MED-90036822-9
0.689
EDG-MED-90036822-21
0.689
EDG-MED-90036822-86
0.683
EDG-MED-90036822-56
0.682
EDG-MED-90036822-62
0.682
VLA-UCB-34f3ed0c-4
0.676
ALP-UNI-dbbfd3db-16
0.667
ALP-UNI-dbbfd3db-3
0.664
KAD-UNI-8a629cb0-13
0.664
EDG-MED-90036822-96
0.661
EDG-MED-90036822-54
0.658
EDG-MED-90036822-59
0.658
EDG-MED-90036822-58
0.658
EDG-MED-90036822-68
0.658
ALP-UNI-dbbfd3db-7
0.655
EDG-MED-90036822-49
0.655
EDG-MED-90036822-24
0.654
ALP-UNI-dbbfd3db-8
0.650
EDG-MED-90036822-50
0.649
EDG-MED-90036822-88
0.649
EDG-MED-90036822-106
0.646
EDG-MED-90036822-57
0.646
EDG-MED-90036822-28
0.645
EDG-MED-90036822-63
0.645
EDG-MED-90036822-29
0.645
EDG-MED-90036822-31
0.643
EDG-MED-90036822-93
0.643
ALP-UNI-dbbfd3db-9
0.642
KAD-UNI-8a629cb0-37
0.642
EDG-MED-90036822-27
0.638
EDG-MED-90036822-82
0.638
EDG-MED-90036822-48
0.636
EDG-MED-90036822-15
0.636
EDG-MED-90036822-3
0.636
EDG-MED-90036822-4
0.636
EDG-MED-90036822-16
0.636
EDG-MED-90036822-17
0.636
EDG-MED-90036822-44
0.636
EDG-MED-90036822-47
0.636
EDG-MED-90036822-5
0.636
EDG-MED-90036822-66
0.634
EDG-MED-90036822-72
0.634
EDG-MED-90036822-10
0.633
EDG-MED-90036822-11
0.633
EDG-MED-90036822-41
0.632
ALP-UNI-dbbfd3db-5
0.632
EDG-MED-90036822-33
0.631
EDG-MED-90036822-89
0.630
EDG-MED-90036822-32
0.628
EDG-MED-90036822-51
0.628
EDG-MED-90036822-109
0.627
MAT-POS-2905de8c-2
0.625
ALP-UNI-dbbfd3db-2
0.621
EDG-MED-90036822-22
0.620
ALP-UNI-dbbfd3db-1
0.620
EDJ-MED-6864a934-1
0.619
EDG-MED-90036822-97
0.617
ALP-UNI-dbbfd3db-14
0.617
EDG-MED-90036822-80
0.616
EDG-MED-90036822-87
0.614
EDG-MED-90036822-79
0.612
EDG-MED-90036822-84
0.611
EDG-MED-90036822-37
0.611
EDJ-MED-6864a934-10
0.611
EDJ-MED-6864a934-5
0.610
EDG-MED-90036822-102
0.609
EDG-MED-90036822-107
0.609
EDG-MED-90036822-6
0.608
EDJ-MED-6864a934-9
0.608
EDG-MED-90036822-81
0.607
EDG-MED-90036822-60
0.607
EDG-MED-90036822-74
0.607
EDG-MED-90036822-75
0.607
EDG-MED-90036822-103
0.607
EDG-MED-90036822-36
0.607
EDG-MED-90036822-77
0.603
EDG-MED-90036822-76
0.603
EDG-MED-90036822-35
0.603
EDG-MED-90036822-71
0.603
ALP-UNI-dbbfd3db-17
0.603
EDG-MED-90036822-65
0.602
EDG-MED-90036822-8
0.602
ALP-UNI-dbbfd3db-15
0.602
EDG-MED-90036822-101
0.598
EDG-MED-90036822-67
0.598
EDG-MED-90036822-83
0.598
EDG-MED-90036822-73
0.598
EDG-MED-90036822-95
0.597
EDJ-MED-6864a934-2
0.597