Molecular Properties | |
SMILES: | O=C(Nc1cnccc1-c1ccccc1)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 364.1 |
Fraction sp3: | 0.14 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 51.22 |
cLogP: | 4.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
LON-WEI-0a73fcb8-7
0.640
ERI-UCB-9c7ec71b-2
0.640
EDJ-MED-e9694d2b-1
0.640
MAT-POS-b3e365b9-3
0.635
MAT-POS-b3e365b9-4
0.635
BRU-CON-c4e3408a-1
0.635
JAN-GHE-f4ca5a00-13
0.635
DAR-DIA-6a508060-6
0.635
MAK-UNK-919546f0-1
0.621
MAK-UNK-f481d203-2
0.621
MAK-UNK-f481d203-1
0.621
VLA-UCB-50c39ae8-13
0.598
VLA-UCB-05e51b3f-20
0.598
NAU-LAT-b7d8c353-5
0.585
BEN-DND-4f474d93-3
0.582
MAT-POS-b3e365b9-2
0.582
VLA-UCB-1dbca3b4-15
0.582
MAT-POS-f7918075-1
0.582
EDJ-MED-51d3200d-3
0.582
MAT-POS-b3e365b9-1
0.582
ALP-POS-ce760d3f-2
0.582
BEN-DND-4f474d93-1
0.582
ALP-POS-ce760d3f-3
0.576
BEN-DND-4f474d93-2
0.576
RAL-THA-04c5403f-1
0.559
MAT-POS-7ddaf7de-4
0.556
MAT-POS-afb6844f-1
0.556
PET-UNK-7f7e354d-1
0.553
MAT-POS-14f31916-5
0.553
NAU-LAT-b7d8c353-6
0.551
MIC-UNK-7574fcc6-2
0.548
PET-UNK-b1ef24dc-8
0.548
MAT-POS-afb6844f-3
0.548
PET-UNK-b1ef24dc-7
0.548
ADA-UCB-dc2b944c-8
0.547
EDJ-MED-fb4b7746-2
0.547
BEN-DND-a7517465-11
0.546
MAT-POS-afb6844f-2
0.543
EDJ-MED-51d3200d-4
0.543
BEN-DND-c852c98b-4
0.543
EDJ-MED-ba7e64f2-1
0.543
PET-UNK-b38839dc-3
0.543
EDG-MED-5d232de5-2
0.543
EDG-MED-5d232de5-1
0.543
ADA-UCB-dc2b944c-12
0.543
JOH-SUS-a69c159d-1
0.543
JOH-SUS-a69c159d-2
0.543
ALP-POS-ce760d3f-7
0.543
ALP-POS-696356e4-1
0.543
MAK-UNK-8be7dca9-7
0.542
BEN-DND-a7517465-1
0.542
ADA-UCB-b1b30a00-8
0.542
ALP-POS-b3e0acc5-2
0.538
BEN-DND-a7517465-2
0.537
ADA-UCB-dc2b944c-11
0.537
BEN-DND-a7517465-5
0.537
PET-UNK-e274cad4-7
0.537
BEN-DND-a7517465-3
0.537
MAT-POS-14f31916-4
0.536
JOH-UNI-f51e3bbc-2
0.536
ALP-POS-82da25a3-2
0.536
MAT-POS-8293a91a-3
0.536
MAT-POS-8040981b-1
0.536
VLA-UCB-53bdeed6-3
0.533
MAT-POS-afb6844f-4
0.532
MAT-POS-a2421bb6-1
0.532
PET-UNK-b1ef24dc-5
0.532
ALF-EVA-5b152d2f-2
0.531
RAL-THA-9041a04d-4
0.531
MAT-POS-a54ce14d-1
0.531
MAK-UNK-8be7dca9-9
0.531
VLA-UCB-05e51b3f-19
0.531
VLA-UCB-50c39ae8-12
0.531
JOH-UNI-1b27fa5e-1
0.531
JOH-SUS-a69c159d-3
0.531
JOH-SUS-a69c159d-4
0.531
RAL-THA-b00e3cbf-1
0.531
EDJ-MED-ba7e64f2-2
0.526
JOH-UNI-f51e3bbc-1
0.526
BEN-DND-c852c98b-8
0.526
BEN-DND-a7517465-10
0.526
EDJ-MED-51d3200d-2
0.526
ALP-POS-ce760d3f-4
0.526
EDJ-MED-51d3200d-1
0.526
MAT-POS-14f31916-1
0.526
PET-UNK-e274cad4-2
0.526
EDJ-MED-eff36d94-1
0.526
MAT-POS-d8472c4f-6
0.526
NAU-LAT-b7d8c353-8
0.525
MAK-UNK-8be7dca9-6
0.525
MAK-UNK-8be7dca9-8
0.525
RAL-THA-3d7a794f-4
0.522
MAT-POS-8293a91a-1
0.522
JAG-UCB-c61058a9-7
0.522
JOH-UNI-1b27fa5e-7
0.522
PET-UNK-b1ef24dc-6
0.521
MAT-POS-afb6844f-5
0.521
RAL-THA-04c5403f-2
0.521
NAU-LAT-b7d8c353-3
0.521
BEN-DND-b89db3f2-1
0.521