Molecular Properties | |
SMILES: | O=C(N[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21)C1CCC(C(=O)N2CCCC2)O1 |
MW: | 548.18 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 109.86 |
cLogP: | 3.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-03-02 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Dipeptide
ALP-UNI-dbbfd3db-6
1.000
ALP-POS-e4f7337d-1
0.703
EDG-MED-90036822-73
0.675
EDG-MED-90036822-83
0.675
EDG-MED-90036822-86
0.657
EDG-MED-90036822-64
0.653
ALP-UNI-dbbfd3db-15
0.650
EDG-MED-90036822-85
0.643
EDG-MED-90036822-98
0.639
EDG-MED-90036822-76
0.638
EDG-MED-90036822-77
0.638
EDG-MED-90036822-61
0.637
EDG-MED-90036822-63
0.636
EDG-MED-90036822-28
0.636
EDG-MED-90036822-29
0.636
EDG-MED-90036822-65
0.636
ALP-UNI-dbbfd3db-13
0.634
EDG-MED-90036822-69
0.633
EDG-MED-90036822-70
0.633
EDG-MED-90036822-13
0.633
EDJ-MED-6864a934-10
0.632
EDG-MED-90036822-56
0.628
EDG-MED-90036822-15
0.628
EDG-MED-90036822-2
0.627
EDG-MED-90036822-75
0.627
EDG-MED-90036822-74
0.627
EDG-MED-90036822-103
0.627
EDG-MED-90036822-10
0.625
EDG-MED-90036822-11
0.625
EDG-MED-90036822-42
0.625
EDG-MED-90036822-80
0.623
EDG-MED-90036822-100
0.622
EDG-MED-90036822-68
0.621
EDG-MED-90036822-34
0.619
EDG-MED-90036822-99
0.619
EDG-MED-90036822-24
0.616
EDG-MED-90036822-78
0.615
EDG-MED-90036822-3
0.614
EDG-MED-90036822-4
0.614
EDG-MED-90036822-16
0.614
EDG-MED-90036822-17
0.614
EDG-MED-90036822-47
0.614
EDG-MED-90036822-48
0.614
EDG-MED-90036822-5
0.614
EDJ-MED-6864a934-6
0.611
EDG-MED-90036822-33
0.609
ALP-UNI-dbbfd3db-4
0.608
EDG-MED-90036822-9
0.605
EDG-MED-90036822-21
0.605
EDG-MED-90036822-94
0.605
EDG-MED-90036822-37
0.603
EDG-MED-90036822-105
0.603
EDG-MED-90036822-7
0.603
MAT-POS-2905de8c-2
0.602
EDG-MED-90036822-36
0.600
EDG-MED-90036822-44
0.600
EDG-MED-90036822-62
0.600
EDG-MED-90036822-66
0.598
EDG-MED-90036822-89
0.597
EDG-MED-90036822-18
0.597
EDG-MED-90036822-35
0.597
EDG-MED-90036822-108
0.595
EDG-MED-90036822-109
0.593
EDG-MED-90036822-87
0.593
EDG-MED-90036822-51
0.593
EDG-MED-90036822-101
0.592
EDG-MED-90036822-25
0.590
EDG-MED-90036822-95
0.590
EDG-MED-90036822-84
0.590
KAD-UNI-8a629cb0-13
0.589
ALP-UNI-dbbfd3db-3
0.589
EDG-MED-90036822-102
0.588
EDG-MED-90036822-60
0.587
EDG-MED-90036822-81
0.587
EDG-MED-90036822-72
0.585
EDJ-MED-6864a934-1
0.585
EDG-MED-90036822-97
0.584
EDG-MED-90036822-57
0.583
EDG-MED-90036822-20
0.582
EDG-MED-90036822-54
0.582
EDG-MED-90036822-55
0.581
EDG-MED-90036822-58
0.580
EDG-MED-90036822-32
0.580
EDG-MED-90036822-59
0.580
EDG-MED-90036822-104
0.579
EDG-MED-90036822-43
0.579
EDG-MED-90036822-82
0.577
EDJ-MED-6864a934-4
0.577
EDJ-MED-6864a934-2
0.577
EDG-MED-90036822-14
0.576
EDG-MED-90036822-107
0.575
EDG-MED-90036822-90
0.574
EDG-MED-90036822-26
0.573
EDG-MED-90036822-40
0.573
EDG-MED-90036822-41
0.573
EDG-MED-90036822-96
0.570
EDJ-MED-6d9ff7d0-8
0.570
VLA-UCB-34f3ed0c-4
0.570
EDG-MED-90036822-106
0.570
EDG-MED-90036822-110
0.569