Molecular Properties | |
SMILES: | O=C1CCC(CCN[C@]2(C(=O)Nc3cncc4ccccc34)CCOc3ccc(Cl)cc32)N1 |
MW: | 464.16 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 92.35 |
cLogP: | 3.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-02-28 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Long aliphatic chain
EDJ-MED-6d9ff7d0-8
0.830
EDJ-MED-6d9ff7d0-9
0.692
EDJ-MED-6d9ff7d0-4
0.689
EDJ-MED-6d9ff7d0-1
0.676
EDJ-MED-6d9ff7d0-10
0.667
EDJ-MED-6d9ff7d0-2
0.664
EDJ-MED-6d9ff7d0-5
0.664
EDJ-MED-6d9ff7d0-3
0.655
MAT-POS-2905de8c-2
0.644
EDJ-MED-15e90dfc-6
0.640
EDJ-MED-6d9ff7d0-6
0.640
EDG-MED-90036822-15
0.639
EDG-MED-90036822-86
0.637
EDG-MED-90036822-63
0.632
EDG-MED-90036822-28
0.632
EDG-MED-90036822-29
0.632
EDG-MED-90036822-13
0.629
EDJ-MED-6864a934-10
0.627
EDJ-MED-fcba3f31-9
0.624
EDG-MED-90036822-17
0.624
EDG-MED-90036822-4
0.624
EDG-MED-90036822-5
0.624
EDG-MED-90036822-16
0.624
EDG-MED-90036822-3
0.624
EDG-MED-90036822-2
0.623
EDG-MED-90036822-10
0.620
EDG-MED-90036822-11
0.620
EDG-MED-90036822-33
0.618
EDG-MED-90036822-20
0.617
EDG-MED-90036822-100
0.617
EDG-MED-90036822-34
0.615
EDG-MED-90036822-83
0.614
EDG-MED-90036822-37
0.613
EDG-MED-90036822-78
0.611
EDG-MED-90036822-47
0.609
EDG-MED-90036822-48
0.609
EDG-MED-90036822-81
0.609
EDG-MED-90036822-61
0.604
EDG-MED-90036822-80
0.604
EDG-MED-90036822-65
0.603
EDG-MED-90036822-108
0.603
ALP-POS-e4f7337d-1
0.603
EDG-MED-90036822-51
0.602
EDG-MED-90036822-68
0.602
EDG-MED-90036822-9
0.600
EDG-MED-90036822-21
0.600
EDG-MED-90036822-99
0.600
EDG-MED-90036822-101
0.600
EDG-MED-90036822-105
0.598
EDG-MED-90036822-95
0.598
EDG-MED-90036822-102
0.596
EDG-MED-90036822-24
0.596
EDG-MED-90036822-50
0.595
EDG-MED-90036822-74
0.595
EDG-MED-90036822-75
0.595
EDG-MED-90036822-62
0.595
EDG-MED-90036822-44
0.595
EDG-MED-90036822-56
0.595
EDG-MED-90036822-64
0.593
EDJ-MED-6864a934-1
0.593
EDG-MED-90036822-77
0.591
EDG-MED-90036822-35
0.591
EDG-MED-90036822-76
0.591
EDG-MED-90036822-8
0.590
EDG-MED-90036822-93
0.590
ALP-UNI-dbbfd3db-15
0.590
EDG-MED-90036822-70
0.588
EDG-MED-90036822-69
0.588
EDG-MED-90036822-73
0.586
EDG-MED-90036822-94
0.586
EDG-MED-90036822-25
0.585
KAD-UNI-8a629cb0-13
0.583
ALP-UNI-dbbfd3db-3
0.583
EDG-MED-90036822-85
0.583
EDG-MED-90036822-103
0.581
EDG-MED-90036822-90
0.581
EDJ-MED-6864a934-6
0.581
EDG-MED-90036822-66
0.579
EDG-MED-90036822-72
0.579
EDG-MED-90036822-97
0.579
EDG-MED-90036822-18
0.578
VLA-UCB-34f3ed0c-4
0.578
ALP-UNI-dbbfd3db-4
0.577
EDG-MED-90036822-109
0.575
EDJ-MED-6864a934-7
0.575
EDG-MED-90036822-87
0.574
EDG-MED-90036822-32
0.574
EDG-MED-90036822-59
0.574
EDG-MED-90036822-58
0.574
EDG-MED-90036822-43
0.573
EDG-MED-90036822-49
0.573
EDG-MED-90036822-7
0.573
ALP-POS-477dc5b7-3
0.571
EDJ-MED-6864a934-2
0.571
VLA-UCB-34f3ed0c-21
0.571
EDG-MED-90036822-14
0.570
EDG-MED-90036822-84
0.570
EDG-MED-90036822-53
0.569
EDG-MED-90036822-98
0.569
EDG-MED-90036822-107
0.569