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-3
0.682
JOH-SUS-a69c159d-4
0.682
RAL-THA-b00e3cbf-1
0.682
JOH-UNI-f51e3bbc-4
0.617
MAT-POS-b3e365b9-1
0.611
MAT-POS-b3e365b9-2
0.611
MAT-POS-f7918075-1
0.611
VLA-UCB-1dbca3b4-15
0.611
PET-UNK-f4e47ebd-3
0.594
PET-UNK-f4e47ebd-4
0.594
JOH-UNI-1b27fa5e-1
0.591
ADA-UCB-dc2b944c-8
0.591
MAT-POS-f9802937-7
0.579
PET-UNK-b38839dc-5
0.577
ALF-EVA-ced740bd-1
0.573
RUB-POS-1325a9ea-10
0.573
JOH-UNI-1b27fa5e-6
0.571
EDJ-MED-ba7e64f2-2
0.570
JOH-UNI-f51e3bbc-1
0.570
MAT-POS-d8472c4f-6
0.568
MAT-POS-14f31916-1
0.568
JOH-UNI-1b27fa5e-7
0.567
MAT-POS-8293a91a-1
0.567
MAT-POS-7ddaf7de-4
0.567
TET-ENA-1a76f195-1
0.561
MAT-POS-1f3c8e6f-1
0.560
ALP-POS-ce760d3f-2
0.559
PET-UNK-b1ef24dc-7
0.559
BEN-DND-4f474d93-1
0.559
BEN-DND-4f474d93-3
0.559
JOH-UNI-1b27fa5e-2
0.558
MAT-POS-b3e365b9-3
0.556
MAT-POS-b3e365b9-4
0.556
DAR-DIA-6a508060-6
0.556
JAN-GHE-f4ca5a00-13
0.556
BRU-CON-c4e3408a-1
0.556
PET-UNK-b38839dc-4
0.556
JAG-UCB-52b62a6f-17
0.553
EDJ-MED-ba7e64f2-1
0.553
PET-UNK-b38839dc-3
0.553
BEN-DND-4f474d93-2
0.553
BEN-DND-c852c98b-4
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
BEN-DND-b89db3f2-1
0.547
JAG-UCB-c61058a9-45
0.547
VLA-UCB-05e51b3f-18
0.547
VLA-UCB-50c39ae8-11
0.547
FRA-DIA-e29753f2-1
0.547
NAU-LAT-b7d8c353-3
0.547
ERI-UCB-8d4e5055-4
0.546
BEN-DND-c852c98b-5
0.546
EDJ-MED-e9694d2b-1
0.543
LON-WEI-0a73fcb8-7
0.543
MAK-UNK-f481d203-1
0.543
ERI-UCB-9c7ec71b-2
0.543
VLA-UNK-0ffe3317-7
0.543
PET-UNK-158bee2a-5
0.543
MAK-UNK-919546f0-1
0.543
MAK-UNK-f481d203-2
0.543
PET-UNK-b1ef24dc-8
0.543
ALF-EVA-5b152d2f-2
0.542
ALP-POS-ce760d3f-7
0.537
JOH-UNI-1b27fa5e-5
0.537
ALP-POS-696356e4-1
0.537
EDG-MED-5d232de5-1
0.537
EDG-MED-5d232de5-2
0.537
ADA-UCB-dc2b944c-10
0.536
ADA-UCB-b1b30a00-8
0.536
BEN-DND-a7517465-7
0.536
BEN-DND-a7517465-6
0.535
PET-UNK-ee8352fa-6
0.535
MAT-POS-afb6844f-1
0.533
JAG-UCB-c61058a9-7
0.533
VLA-UNK-0ffe3317-1
0.532
MAT-POS-14f31916-5
0.531
PET-UNK-7f7e354d-1
0.531
BEN-DND-c852c98b-3
0.531
PET-UNK-ee8352fa-4
0.531
ALP-POS-82da25a3-1
0.531
JAG-UCB-c61058a9-6
0.527
EDJ-MED-51d3200d-3
0.526
JOH-UNI-1b27fa5e-3
0.526
PET-UNK-03fd2068-1
0.526
MAK-UNK-8be7dca9-9
0.526
ERI-UCB-8d4e5055-3
0.525
MAT-POS-7ddaf7de-2
0.525
EDJ-MED-97c1bf5c-3
0.525
MAT-POS-afb6844f-2
0.521
JAG-UCB-c61058a9-11
0.521
EDJ-MED-51d3200d-4
0.521
MAK-UNK-8be7dca9-7
0.520
JOH-UNI-f51e3bbc-3
0.520