Molecular Properties | |
SMILES: | Cc1ncc2ccccc2c1NC(=O)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 352.1 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.7 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UCB-dc2b944c-9
0.741
JOH-UNI-f51e3bbc-3
0.741
JOH-UNI-f51e3bbc-4
0.736
VLA-UCB-1dbca3b4-15
0.618
MAT-POS-f7918075-1
0.618
MAT-POS-b3e365b9-1
0.618
MAT-POS-b3e365b9-2
0.618
ADA-UCB-dc2b944c-12
0.611
JOH-SUS-a69c159d-1
0.611
JOH-SUS-a69c159d-6
0.600
JOH-UNI-1b27fa5e-2
0.598
JOH-UNI-1b27fa5e-4
0.558
ADA-UCB-dc2b944c-11
0.553
JOH-SUS-a69c159d-3
0.547
JOH-SUS-a69c159d-4
0.547
ALF-EVA-5b152d2f-4
0.547
JOH-SUS-a69c159d-2
0.543
JAG-UCB-52b62a6f-6
0.538
JOH-UNI-f51e3bbc-2
0.536
ALF-EVA-5b152d2f-2
0.531
JOH-UNI-1b27fa5e-1
0.531
BEN-DND-c852c98b-1
0.531
BRU-CON-c4e3408a-1
0.527
JAN-GHE-f4ca5a00-13
0.527
DAR-DIA-6a508060-6
0.527
MAT-POS-b3e365b9-3
0.527
MAT-POS-b3e365b9-4
0.527
BEN-DND-c852c98b-4
0.526
ALP-POS-ce760d3f-3
0.526
BEN-DND-4f474d93-2
0.526
ALP-POS-ce760d3f-4
0.526
VLA-UCB-05e51b3f-4
0.526
VLA-UCB-50c39ae8-1
0.526
EDJ-MED-eff36d94-1
0.526
WIL-UCB-7ba4ac3a-2
0.521
MAK-UNK-3875bbc8-2
0.521
EDJ-MED-e9694d2b-1
0.516
ERI-UCB-9c7ec71b-2
0.516
ADA-UCB-dc2b944c-8
0.515
JOH-UNI-1b27fa5e-3
0.515
DAR-DIA-5ff57136-14
0.515
JOH-UNI-1b27fa5e-6
0.511
ALP-POS-ce760d3f-7
0.510
EDG-MED-5d232de5-1
0.510
ALP-POS-696356e4-1
0.510
EDG-MED-5d232de5-2
0.510
JOH-UNI-f51e3bbc-1
0.510
DAR-DIA-6a508060-2
0.510
JAG-UCB-52b62a6f-17
0.510
JOH-UNI-1b27fa5e-5
0.510
BEN-DND-a7517465-7
0.510
BEN-DND-a7517465-1
0.510
RAL-THA-b74298ba-1
0.505
RAL-THA-3d7a794f-4
0.505
JOH-UNI-1b27fa5e-7
0.505
FRA-DIA-e29753f2-1
0.505
VLA-UCB-50c39ae8-11
0.505
BEN-DND-a7517465-3
0.505
VLA-UCB-05e51b3f-18
0.505
NAU-LAT-b7d8c353-3
0.505
JAG-UCB-c61058a9-45
0.505
BEN-DND-b89db3f2-1
0.505
BEN-DND-c852c98b-5
0.505
BEN-DND-c852c98b-3
0.505
MAT-POS-f9802937-7
0.505
JAG-UCB-52b62a6f-11
0.505
ALF-EVA-5b152d2f-8
0.505
ALP-POS-ce760d3f-2
0.500
JAG-UCB-52b62a6f-13
0.500
ALF-EVA-5b152d2f-1
0.500
BEN-DND-a7517465-11
0.500
MAT-POS-2bb0cf2b-2
0.500
BEN-DND-4f474d93-1
0.500
RUB-POS-1325a9ea-10
0.500
JAG-UCB-52b62a6f-3
0.500
MAK-UNK-f481d203-1
0.500
MAK-UNK-919546f0-1
0.500
MAK-UNK-f481d203-2
0.500
BEN-DND-4f474d93-3
0.500
BEN-DND-c852c98b-7
0.500
EDJ-MED-fb4b7746-1
0.500
LON-WEI-0a73fcb8-7
0.500
VLA-UCB-05e51b3f-9
0.495
MAK-UNK-8be7dca9-8
0.495
VLA-UCB-50c39ae8-6
0.495
JOH-SUS-a69c159d-7
0.495
MAK-UNK-8be7dca9-7
0.495
NAU-LAT-8502cac5-13
0.495
RAL-THA-3d7a794f-2
0.495
ROB-UNI-569bc02e-3
0.495
NAU-LAT-8502cac5-16
0.495
JAG-UCB-c61058a9-41
0.495
DAR-DIA-5ff57136-16
0.490
EDG-MED-0e5afe9d-1
0.490
VLA-UCB-05e51b3f-10
0.490
MAT-POS-090737b9-1
0.490
VLA-UCB-50c39ae8-7
0.490
EDJ-MED-fb4b7746-4
0.490
BEN-DND-a7517465-2
0.490
BEN-DND-a7517465-5
0.490