Molecular Properties | |
SMILES: | NC(N)=NC(=O)c1cncc(NC(=O)[C@@H]2CCOc3ccc(Cl)cc32)n1 |
MW: | 374.09 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 145.58 |
cLogP: | 1.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
imine
imine
MAK-UNK-919546f0-1
MAK-UNK-f481d203-6
1.000
MAK-UNK-919546f0-3
1.000
MAT-POS-7ddaf7de-4
0.549
TAT-ENA-0e28ea53-1
0.533
NAU-LAT-b7d8c353-1
0.527
MAT-POS-afb6844f-3
0.526
MAT-POS-afb6844f-4
0.526
PET-UNK-b1ef24dc-5
0.526
BEN-DND-c852c98b-8
0.521
BEN-DND-a7517465-10
0.521
RAL-THA-3d7a794f-4
0.516
MAT-POS-afb6844f-1
0.516
JAG-UCB-c61058a9-7
0.516
MAT-POS-afb6844f-5
0.515
PET-UNK-b1ef24dc-6
0.515
MAK-UNK-8be7dca9-2
0.515
TET-ENA-382364b7-1
0.515
JAG-UCB-c61058a9-6
0.511
LON-WEI-0a73fcb8-7
0.511
JAG-UCB-c61058a9-44
0.511
BEN-DND-4f474d93-3
0.510
MIC-UNK-7574fcc6-2
0.510
MAT-POS-a2421bb6-1
0.510
MAT-POS-b3e365b9-1
0.510
MAT-POS-b3e365b9-2
0.510
VLA-UCB-1dbca3b4-15
0.510
ALP-POS-ce760d3f-2
0.510
MAT-POS-f7918075-1
0.510
BEN-DND-4f474d93-1
0.510
PET-UNK-b1ef24dc-7
0.510
ROB-UNI-569bc02e-6
0.510
PET-UNK-03fd2068-1
0.510
MAK-UNK-8be7dca9-5
0.510
MAT-POS-a2421bb6-3
0.510
MAT-POS-b3e365b9-4
0.505
MAT-POS-b3e365b9-3
0.505
DAR-DIA-6a508060-6
0.505
JAG-UCB-c61058a9-41
0.505
JAN-GHE-f4ca5a00-13
0.505
RAL-THA-b74298ba-3
0.505
BRU-CON-c4e3408a-1
0.505
EDG-MED-fe7487f8-9
0.505
MAT-POS-afb6844f-2
0.505
JAG-UCB-c61058a9-11
0.505
BEN-DND-c852c98b-4
0.505
EDJ-MED-ba7e64f2-1
0.505
ALP-POS-ce760d3f-7
0.505
ALP-POS-ce760d3f-3
0.505
EDG-MED-5d232de5-2
0.505
BEN-DND-4f474d93-2
0.505
ALP-POS-696356e4-1
0.505
EDG-MED-5d232de5-1
0.505
WIL-UCB-7ba4ac3a-1
0.505
MAK-UNK-8be7dca9-8
0.505
MAT-POS-1ecf5680-1
0.505
MAT-POS-14f31916-5
0.500
PET-UNK-e274cad4-7
0.500
BEN-DND-a7517465-5
0.500
MAT-POS-f9802937-7
0.500
ALP-POS-b3e0acc5-2
0.500
PET-UNK-7f7e354d-1
0.500
BEN-DND-a7517465-2
0.500
MAT-POS-acfe5bae-5
0.500
MAT-POS-14f31916-2
0.500
BEN-DND-a7517465-3
0.500
ALP-POS-82da25a3-1
0.500
ALP-POS-82da25a3-2
0.500
RAL-THA-b74298ba-1
0.500
JAG-UCB-c61058a9-9
0.500
ERI-UCB-8d4e5055-3
0.495
BEN-DND-c852c98b-7
0.495
MAT-POS-7ddaf7de-2
0.495
MAK-UNK-8be7dca9-9
0.495
ALF-EVA-5b152d2f-2
0.495
EDJ-MED-fb4b7746-2
0.495
EDJ-MED-fb4b7746-3
0.495
EDG-MED-0e5afe9d-2
0.495
EDJ-MED-51d3200d-3
0.495
PET-UNK-b1ef24dc-8
0.495
MAK-UNK-f481d203-1
0.495
MAT-POS-1f3c8e6f-1
0.495
MAK-UNK-919546f0-1
0.495
MAK-UNK-f481d203-2
0.495
ERI-UCB-9c7ec71b-2
0.495
EDJ-MED-e9694d2b-1
0.495
MAT-POS-1ecf5680-2
0.490
RAL-THA-b9d6aec1-3
0.490
NAU-LAT-b7d8c353-8
0.490
MAK-UNK-8be7dca9-6
0.490
MAK-UNK-8be7dca9-7
0.490
PET-UNK-e274cad4-2
0.490
BEN-DND-a7517465-1
0.490
PET-UNK-b38839dc-3
0.490
RAL-THA-3d7a794f-3
0.490
ROB-UNI-569bc02e-3
0.490
EDJ-MED-51d3200d-4
0.490
RAL-THA-3d7a794f-2
0.490
RAL-THA-b74298ba-2
0.490
MAT-POS-500f4700-1
0.490
JAG-UCB-a3ef7265-20
0.489