Molecular Properties | |
SMILES: | O=C(N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)[C@H]1CCCc2n[nH]nc21 |
MW: | 502.15 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 121.89 |
cLogP: | 3.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
EDG-MED-90036822-73
0.658
EDG-MED-90036822-34
0.646
EDG-MED-90036822-4
0.640
EDG-MED-90036822-15
0.640
EDG-MED-90036822-3
0.640
EDG-MED-90036822-5
0.640
EDG-MED-90036822-2
0.640
EDG-MED-90036822-86
0.639
EDG-MED-90036822-10
0.637
EDG-MED-90036822-11
0.637
EDG-MED-90036822-28
0.634
EDG-MED-90036822-63
0.634
EDG-MED-90036822-29
0.634
EDG-MED-90036822-13
0.631
EDJ-MED-6864a934-10
0.629
EDG-MED-90036822-16
0.626
EDG-MED-90036822-17
0.626
EDG-MED-90036822-103
0.625
EDG-MED-90036822-76
0.622
EDG-MED-90036822-77
0.622
ALP-UNI-dbbfd3db-15
0.620
EDG-MED-90036822-100
0.619
EDG-MED-90036822-69
0.618
EDG-MED-90036822-70
0.618
EDG-MED-90036822-83
0.617
EDG-MED-90036822-99
0.617
EDG-MED-90036822-85
0.613
EDG-MED-90036822-78
0.613
EDG-MED-90036822-48
0.612
EDG-MED-90036822-44
0.612
EDG-MED-90036822-47
0.612
EDG-MED-90036822-81
0.612
MAT-POS-24589f88-11
0.611
EDG-MED-90036822-98
0.611
ALP-UNI-dbbfd3db-6
0.611
EDG-MED-90036822-72
0.610
EDJ-MED-6864a934-1
0.610
EDG-MED-90036822-35
0.608
EDJ-MED-6d9ff7d0-8
0.608
EDG-MED-90036822-57
0.608
EDG-MED-90036822-33
0.607
EDG-MED-90036822-61
0.607
EDG-MED-90036822-80
0.607
EDG-MED-90036822-108
0.607
EDG-MED-90036822-65
0.607
EDG-MED-90036822-51
0.605
EDG-MED-90036822-68
0.605
EDG-MED-90036822-21
0.603
EDG-MED-90036822-9
0.603
EDG-MED-90036822-94
0.603
EDG-MED-90036822-101
0.603
EDG-MED-90036822-79
0.603
EDG-MED-90036822-37
0.602
EDG-MED-90036822-95
0.602
EDG-MED-90036822-102
0.600
EDG-MED-90036822-24
0.600
EDG-MED-90036822-74
0.598
EDG-MED-90036822-75
0.598
EDG-MED-90036822-56
0.598
EDG-MED-90036822-62
0.598
EDG-MED-90036822-64
0.597
EDG-MED-90036822-66
0.597
VLA-UCB-34f3ed0c-4
0.595
EDG-MED-90036822-8
0.593
EDG-MED-90036822-20
0.593
EDG-MED-90036822-58
0.592
EDG-MED-90036822-59
0.592
EDG-MED-90036822-32
0.592
EDG-MED-90036822-27
0.589
EDG-MED-90036822-22
0.586
MAT-POS-2905de8c-2
0.586
EDG-MED-90036822-90
0.585
ALP-UNI-dbbfd3db-5
0.584
EDG-MED-90036822-42
0.584
EDG-MED-90036822-89
0.583
EDG-MED-90036822-106
0.582
EDG-MED-90036822-96
0.582
ALP-UNI-dbbfd3db-4
0.581
EDJ-MED-6d9ff7d0-7
0.581
EDJ-MED-6864a934-7
0.579
EDG-MED-90036822-87
0.579
EDG-MED-90036822-104
0.578
EDG-MED-90036822-49
0.577
EDG-MED-90036822-7
0.577
EDG-MED-90036822-105
0.576
EDG-MED-90036822-84
0.575
EDG-MED-90036822-6
0.575
EDG-MED-90036822-107
0.574
EDG-MED-90036822-50
0.573
EDG-MED-90036822-60
0.573
EDG-MED-90036822-88
0.573
EDG-MED-90036822-36
0.573
EDG-MED-90036822-91
0.571
EDG-MED-90036822-18
0.569
EDG-MED-90036822-31
0.568
EDG-MED-90036822-93
0.568
EDG-MED-90036822-54
0.568
EDG-MED-90036822-109
0.567
EDG-MED-90036822-30
0.567
ALP-UNI-dbbfd3db-7
0.567