Molecular Properties | |
SMILES: | O=C(Nc1cnnc2ccccc12)C1CCOc2ccc(Cl)cc21 |
MW: | 339.08 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 64.11 |
cLogP: | 3.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
JOH-SUS-a69c159d-2
0.636
ADA-UCB-dc2b944c-11
0.629
MAT-POS-b3e365b9-1
0.625
VLA-UCB-1dbca3b4-15
0.625
MAT-POS-b3e365b9-2
0.625
MAT-POS-f7918075-1
0.625
ADA-UCB-dc2b944c-12
0.618
JOH-SUS-a69c159d-1
0.618
JOH-UNI-1b27fa5e-4
0.615
PET-UNK-158bee2a-5
0.609
VLA-UNK-0ffe3317-7
0.609
JOH-SUS-a69c159d-3
0.604
JOH-SUS-a69c159d-4
0.604
RAL-THA-b00e3cbf-1
0.604
JOH-UNI-f51e3bbc-2
0.591
EDJ-MED-ba7e64f2-1
0.582
BEN-DND-c852c98b-4
0.582
JAG-UCB-52b62a6f-6
0.578
VLA-UNK-0ffe3317-1
0.578
BEN-DND-4f474d93-1
0.571
BEN-DND-4f474d93-3
0.571
ALP-POS-ce760d3f-2
0.571
ADA-UCB-dc2b944c-8
0.570
JOH-UNI-1b27fa5e-2
0.570
BEN-DND-4f474d93-2
0.565
ALP-POS-ce760d3f-3
0.565
PET-UNK-b1ef24dc-7
0.554
PET-UNK-b1ef24dc-8
0.554
JOH-SUS-a69c159d-6
0.554
PET-UNK-b38839dc-3
0.548
ALP-POS-ce760d3f-7
0.548
EDG-MED-5d232de5-1
0.548
JOH-UNI-f51e3bbc-1
0.548
EDJ-MED-ba7e64f2-2
0.548
ALP-POS-696356e4-1
0.548
EDG-MED-5d232de5-2
0.548
JOH-SUS-a69c159d-5
0.547
MAK-UNK-8be7dca9-6
0.546
NAU-LAT-b7d8c353-8
0.546
MAT-POS-8293a91a-1
0.544
MAT-POS-7ddaf7de-4
0.544
FRA-DIA-e29753f2-1
0.543
JAG-UCB-c61058a9-45
0.543
BEN-DND-b89db3f2-1
0.543
MAT-POS-14f31916-5
0.543
PET-UNK-7f7e354d-1
0.543
VLA-UCB-05e51b3f-18
0.543
VLA-UCB-50c39ae8-11
0.543
NAU-LAT-b7d8c353-3
0.543
MAT-POS-acfe5bae-5
0.542
MAT-POS-14f31916-2
0.542
MAT-POS-1f3c8e6f-1
0.538
EDJ-MED-e9694d2b-1
0.538
LON-WEI-0a73fcb8-7
0.538
ERI-UCB-9c7ec71b-2
0.538
EDJ-MED-51d3200d-3
0.538
PET-UNK-03fd2068-1
0.537
ALF-EVA-5b152d2f-2
0.537
VLA-UCB-05e51b3f-20
0.537
VLA-UCB-50c39ae8-13
0.537
MAK-UNK-8be7dca9-9
0.537
JAN-GHE-f4ca5a00-13
0.533
BRU-CON-c4e3408a-1
0.533
MAT-POS-b3e365b9-4
0.533
MAT-POS-b3e365b9-3
0.533
DAR-DIA-6a508060-6
0.533
EDJ-MED-51d3200d-4
0.533
JOH-UNI-1b27fa5e-6
0.533
MAT-POS-14f31916-1
0.531
WIL-UCB-7ba4ac3a-1
0.531
EDJ-MED-eff36d94-1
0.531
MAT-POS-d8472c4f-6
0.531
MAK-UNK-8be7dca9-7
0.531
ADA-UCB-dc2b944c-10
0.531
ALP-POS-ce760d3f-4
0.531
BEN-DND-a7517465-7
0.531
PET-UNK-ee8352fa-6
0.531
JAG-UCB-c61058a9-7
0.527
JAG-UCB-c61058a9-22
0.527
MAT-POS-afb6844f-1
0.527
JOH-UNI-1b27fa5e-7
0.527
ALP-POS-82da25a3-1
0.526
ALP-POS-82da25a3-2
0.526
MAT-POS-8040981b-1
0.526
ERI-UCB-8d4e5055-4
0.526
PET-UNK-ee8352fa-4
0.526
MAT-POS-8293a91a-3
0.526
BEN-DND-c852c98b-3
0.526
BEN-DND-c852c98b-5
0.526
MAT-POS-f9802937-7
0.526
MAK-UNK-8be7dca9-2
0.525
TET-ENA-1a76f195-1
0.525
PET-UNK-f4e47ebd-3
0.525
JAG-UCB-c61058a9-6
0.522
VLA-UCB-53bdeed6-3
0.522
MAK-UNK-919546f0-1
0.522
MAK-UNK-f481d203-1
0.522
MAK-UNK-f481d203-2
0.522
MAT-POS-afb6844f-4
0.521
MIC-UNK-7574fcc6-2
0.521