Molecular Properties | |
SMILES: | COc1ncc(NC(=O)C2CCOc3ccc(Cl)cc32)c2ccccc12 |
MW: | 368.09 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 4.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UCB-dc2b944c-12
0.718
JOH-SUS-a69c159d-1
0.718
JOH-SUS-a69c159d-2
0.698
ADA-UCB-dc2b944c-11
0.690
JOH-SUS-a69c159d-4
0.682
JOH-SUS-a69c159d-3
0.682
JOH-UNI-f51e3bbc-4
0.617
MAT-POS-b3e365b9-2
0.611
MAT-POS-b3e365b9-1
0.611
VLA-UCB-1dbca3b4-15
0.611
MAT-POS-f7918075-1
0.611
ADA-UCB-dc2b944c-8
0.591
JOH-UNI-1b27fa5e-1
0.591
MAT-POS-f9802937-7
0.579
ALF-EVA-ced740bd-1
0.573
JOH-UNI-1b27fa5e-6
0.571
JOH-UNI-f51e3bbc-1
0.570
JOH-UNI-1b27fa5e-7
0.567
ALP-POS-ce760d3f-2
0.559
BEN-DND-4f474d93-1
0.559
BEN-DND-4f474d93-3
0.559
JOH-UNI-1b27fa5e-2
0.558
BRU-CON-c4e3408a-1
0.556
DAR-DIA-6a508060-6
0.556
JAN-GHE-f4ca5a00-13
0.556
MAT-POS-b3e365b9-4
0.556
MAT-POS-b3e365b9-3
0.556
JAG-UCB-52b62a6f-17
0.553
BEN-DND-c852c98b-4
0.553
BEN-DND-4f474d93-2
0.553
ALP-POS-ce760d3f-3
0.553
JOH-SUS-a69c159d-5
0.552
ALF-EVA-ced740bd-2
0.551
NAU-LAT-b7d8c353-8
0.551
MAK-UNK-8be7dca9-6
0.551
FRA-DIA-e29753f2-1
0.547
JAG-UCB-c61058a9-45
0.547
VLA-UCB-05e51b3f-18
0.547
VLA-UCB-50c39ae8-11
0.547
BEN-DND-b89db3f2-1
0.547
NAU-LAT-b7d8c353-3
0.547
BEN-DND-c852c98b-5
0.546
MAK-UNK-f481d203-2
0.543
LON-WEI-0a73fcb8-7
0.543
MAK-UNK-f481d203-1
0.543
MAK-UNK-919546f0-1
0.543
ERI-UCB-9c7ec71b-2
0.543
EDJ-MED-e9694d2b-1
0.543
ALF-EVA-5b152d2f-2
0.542
ALP-POS-ce760d3f-7
0.537
ALP-POS-696356e4-1
0.537
EDG-MED-5d232de5-2
0.537
JOH-UNI-1b27fa5e-5
0.537
EDG-MED-5d232de5-1
0.537
ADA-UCB-b1b30a00-8
0.536
ADA-UCB-dc2b944c-10
0.536
BEN-DND-a7517465-7
0.536
BEN-DND-a7517465-6
0.535
JAG-UCB-c61058a9-7
0.533
BEN-DND-c852c98b-3
0.531
JAG-UCB-c61058a9-6
0.527
JOH-UNI-1b27fa5e-3
0.526
MAK-UNK-8be7dca9-9
0.526
EDJ-MED-97c1bf5c-3
0.525
JAG-UCB-c61058a9-11
0.521
JOH-UNI-f51e3bbc-3
0.520
EDJ-MED-eff36d94-1
0.520
ADA-UCB-dc2b944c-9
0.520
MAK-UNK-8be7dca9-7
0.520
ALP-POS-ce760d3f-4
0.520
WIL-UCB-7ba4ac3a-1
0.520
MAK-UNK-8be7dca9-8
0.520
RAL-THA-3d7a794f-4
0.516
JAG-UCB-c61058a9-9
0.516
JAG-UCB-52b62a6f-6
0.516
BEN-DND-a7517465-3
0.515
NAU-LAT-b7d8c353-5
0.515
BEN-DND-c852c98b-6
0.515
VLA-UCB-53bdeed6-3
0.511
LON-WEI-0a73fcb8-6
0.511
JOH-SUS-a69c159d-6
0.510
ALF-EVA-5b152d2f-1
0.510
VLA-UCB-05e51b3f-20
0.510
VLA-UCB-50c39ae8-13
0.510
EDJ-MED-fb4b7746-2
0.510
EDJ-MED-fb4b7746-3
0.510
EDG-MED-0e5afe9d-2
0.510
BEN-DND-c852c98b-1
0.510
MAK-UNK-8be7dca9-5
0.510
JAG-UCB-52b62a6f-10
0.510
BEN-DND-c852c98b-7
0.510
EDJ-MED-fb4b7746-1
0.510
MAT-POS-2bb0cf2b-2
0.510
BEN-DND-a7517465-11
0.510
BEN-DND-c852c98b-2
0.510
BEN-DND-a7517465-1
0.505
JOH-UNI-1b27fa5e-4
0.505
ALF-EVA-5b152d2f-5
0.505
ALF-EVA-5b152d2f-7
0.505
MAK-UNK-8be7dca9-2
0.500