Molecular Properties | |
SMILES: | O=C(Nc1cncc2c(Cl)cccc12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 372.04 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 5.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-8be7dca9-6
0.724
NAU-LAT-b7d8c353-8
0.724
MAT-POS-b3e365b9-1
0.663
MAT-POS-b3e365b9-2
0.663
VLA-UCB-1dbca3b4-15
0.663
MAT-POS-f7918075-1
0.663
BEN-DND-4f474d93-2
0.655
ALP-POS-ce760d3f-3
0.655
BEN-DND-4f474d93-1
0.644
BEN-DND-4f474d93-3
0.644
ALP-POS-ce760d3f-2
0.644
PET-UNK-7f7e354d-1
0.629
MAT-POS-14f31916-5
0.629
PET-UNK-b1ef24dc-7
0.625
PET-UNK-b1ef24dc-8
0.625
ALP-POS-ce760d3f-7
0.618
PET-UNK-b38839dc-3
0.618
EDG-MED-5d232de5-2
0.618
ALP-POS-696356e4-1
0.618
EDG-MED-5d232de5-1
0.618
BEN-DND-c852c98b-4
0.618
EDJ-MED-ba7e64f2-1
0.618
MAT-POS-d8472c4f-6
0.615
MAT-POS-14f31916-1
0.615
BEN-DND-a7517465-3
0.611
LON-WEI-0a73fcb8-7
0.609
MAT-POS-8040981b-1
0.609
MAT-POS-acfe5bae-5
0.609
MAT-POS-14f31916-2
0.609
ALF-EVA-5b152d2f-2
0.604
MAK-UNK-8be7dca9-9
0.604
PET-UNK-03fd2068-1
0.604
RUB-POS-1325a9ea-10
0.602
MAT-POS-a2421bb6-3
0.602
JOH-SUS-a69c159d-1
0.600
ADA-UCB-dc2b944c-12
0.600
JOH-SUS-a69c159d-2
0.600
MAK-UNK-8be7dca9-7
0.598
WIL-UCB-7ba4ac3a-1
0.598
MAT-POS-acfe5bae-1
0.596
MAT-POS-ee5e8e94-2
0.596
MIC-UNK-b904ca85-2
0.593
BEN-DND-a7517465-2
0.593
ADA-UCB-dc2b944c-11
0.593
ALP-POS-82da25a3-1
0.591
ALP-POS-82da25a3-2
0.591
MAT-POS-8293a91a-3
0.591
JOH-UNI-f51e3bbc-2
0.591
BEN-DND-c852c98b-3
0.591
PET-UNK-ee8352fa-4
0.591
ERI-UCB-8d4e5055-4
0.591
BEN-DND-c852c98b-5
0.591
MAT-POS-f9802937-7
0.591
TET-ENA-1a76f195-1
0.589
MAT-POS-ee5e8e94-1
0.589
PET-UNK-b38839dc-5
0.589
MAT-POS-14f31916-3
0.589
RAL-THA-b00e3cbf-1
0.587
JOH-SUS-a69c159d-3
0.587
JOH-SUS-a69c159d-4
0.587
BRU-CON-c4e3408a-1
0.586
MAT-POS-b3e365b9-3
0.586
DAR-DIA-6a508060-6
0.586
MAT-POS-b3e365b9-4
0.586
JAN-GHE-f4ca5a00-13
0.586
BEN-DND-c852c98b-1
0.585
BEN-DND-c852c98b-7
0.585
ALF-EVA-ced740bd-1
0.585
MAT-POS-7ddaf7de-2
0.585
MAK-UNK-8be7dca9-5
0.585
ERI-UCB-8d4e5055-3
0.585
PET-UNK-6314f867-1
0.585
MAT-POS-afb6844f-2
0.584
MAT-POS-7ddaf7de-4
0.580
MAT-POS-afb6844f-1
0.580
ALF-EVA-5b152d2f-5
0.579
PET-UNK-ee8352fa-5
0.579
PET-UNK-ee8352fa-6
0.579
ALF-EVA-5b152d2f-7
0.579
RAL-THA-b9d6aec1-3
0.579
MAK-UNK-8be7dca9-8
0.579
ALP-POS-b3e0acc5-2
0.578
BEN-DND-a7517465-5
0.576
MAK-UNK-919546f0-1
0.573
EDJ-MED-e9694d2b-1
0.573
MAK-UNK-f481d203-1
0.573
ERI-UCB-9c7ec71b-2
0.573
MAK-UNK-f481d203-2
0.573
ALF-EVA-5b152d2f-8
0.573
TET-ENA-382364b7-1
0.573
PET-UNK-f4e47ebd-3
0.573
PET-UNK-f4e47ebd-4
0.573
MAK-UNK-8be7dca9-2
0.573
BEN-DND-c852c98b-6
0.573
PET-UNK-b1ef24dc-5
0.571
MIC-UNK-7574fcc6-2
0.571
MAK-UNK-8be7dca9-4
0.570
JOH-UNI-1b27fa5e-1
0.570
PET-UNK-b38839dc-4
0.567
BEN-DND-c852c98b-2
0.567