Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)N2CC(C(=O)Nc3cncc4ccccc34)c3cc(Cl)ccc3C2=O)CCC1 |
MW: | 508.1 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 120.23 |
cLogP: | 4.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-07-06 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
MAT-POS-acfe5bae-4
MAT-POS-acfe5bae-4
1.000
ALP-POS-c56c1477-3
0.946
PET-UNK-8f269638-1
0.780
PET-UNK-8f269638-2
0.780
EDJ-MED-968bafd9-1
0.750
EDJ-MED-827e7cb4-9
0.750
EDJ-MED-0047eae5-1
0.690
MAT-POS-acfe5bae-3
0.686
EDJ-MED-0047eae5-2
0.663
MAT-POS-4223bc15-12
0.649
PET-UNK-4d432d33-6
0.641
PET-UNK-4d432d33-2
0.641
MAT-POS-5cd9ea36-5
0.623
PET-UNK-9b053684-1
0.619
PET-UNK-9b053684-4
0.619
EDJ-MED-eb111c00-3
0.610
MIC-UNK-91acba05-2
0.608
EDJ-MED-eb111c00-1
0.608
EDJ-MED-eb111c00-4
0.607
MAT-POS-e194df51-1
0.607
MAT-POS-e194df51-2
0.607
MAT-POS-dc2604c4-1
0.607
PET-UNK-4d432d33-1
0.604
PET-UNK-4d432d33-5
0.604
MAT-POS-2e8b2191-6
0.602
PET-UNK-f860268d-5
0.600
PET-UNK-f860268d-2
0.600
MIC-UNK-482af05e-4
0.598
ALP-POS-b3e0acc5-1
0.586
RAL-THA-a9c31980-2
0.584
EDJ-MED-43f8f7d6-8
0.582
EDJ-MED-12c4873b-8
0.582
RAL-THA-8f106089-1
0.582
RAL-THA-8f106089-2
0.582
MAT-POS-a54ce14d-3
0.578
MIC-UNK-482af05e-3
0.578
MAT-POS-acfe5bae-2
0.578
MAT-POS-a54ce14d-2
0.578
EDJ-MED-015fb6b4-2
0.578
LUO-POS-8701f4c8-1
0.571
EDJ-MED-43f8f7d6-2
0.571
ALP-POS-d054b76b-1
0.571
EDJ-MED-12c4873b-2
0.571
EDJ-MED-c99b2211-1
0.570
JOH-SUS-07b743f6-3
0.569
PET-UNK-2337ec19-1
0.569
PET-UNK-2337ec19-3
0.569
PET-UNK-c7ac4d9e-1
0.568
PET-UNK-c7ac4d9e-2
0.568
RAL-THA-5e0a6f1a-1
0.568
MAT-POS-bf364d7a-9
0.567
MAT-POS-bf364d7a-10
0.567
MAT-POS-5cd9ea36-6
0.567
EDJ-MED-43f8f7d6-4
0.566
EDJ-MED-43f8f7d6-3
0.566
JOH-UNI-6b98e24c-1
0.566
RAL-THA-a9c31980-3
0.566
LUO-POS-3f66b338-1
0.564
EDJ-MED-43f8f7d6-1
0.564
EDJ-MED-12c4873b-4
0.564
EDJ-MED-968bafd9-2
0.563
EDJ-MED-eb111c00-2
0.562
MAT-POS-bf364d7a-11
0.562
MAT-POS-bf364d7a-12
0.562
MAT-POS-5cd9ea36-7
0.562
RAL-THA-a9c31980-9
0.560
MAT-POS-777f5926-3
0.559
ALP-POS-07e1ed01-1
0.559
MAT-POS-dc2604c4-3
0.559
MAT-POS-777f5926-4
0.559
LUO-POS-868e8996-3
0.558
RAL-THA-a9c31980-4
0.558
LUO-POS-868e8996-4
0.558
RAL-THA-a9c31980-1
0.558
EDJ-MED-c99b2211-2
0.558
PET-UNK-2337ec19-2
0.556
PET-UNK-2337ec19-4
0.556
ALP-POS-07e1ed01-2
0.555
RAL-THA-8f106089-3
0.554
MAT-POS-e2d70d27-1
0.554
ALP-POS-d054b76b-3
0.554
EDJ-MED-12c4873b-6
0.554
EDJ-MED-43f8f7d6-7
0.554
RAL-THA-8f106089-4
0.554
PET-UNK-37251634-15
0.552
PET-UNK-37251634-7
0.552
RAL-THA-a9c31980-6
0.548
RAL-THA-a9c31980-5
0.548
EDJ-MED-cc48ee33-6
0.547
JOH-UNI-6b98e24c-2
0.544
PET-UNK-37251634-16
0.543
EDJ-MED-036ae2e9-12
0.543
MAT-POS-dd1fff26-1
0.543
MAT-POS-dd1fff26-2
0.543
MAT-POS-5cd9ea36-10
0.543
PET-UNK-37251634-1
0.543
PET-UNK-37251634-8
0.543
PET-UNK-37251634-9
0.543
PET-UNK-fe71d26d-2
0.542
PET-UNK-fe71d26d-4
0.542