Molecular Properties | |
SMILES: | O=C(Nc1cncc2oncc12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 329.06 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 77.25 |
cLogP: | 3.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-b38839dc-3
0.699
ALP-POS-82da25a3-1
0.648
ALP-POS-82da25a3-2
0.648
ALP-POS-ce760d3f-2
0.647
BEN-DND-4f474d93-1
0.647
MAT-POS-b3e365b9-2
0.647
VLA-UCB-1dbca3b4-15
0.647
MAT-POS-b3e365b9-1
0.647
BEN-DND-4f474d93-3
0.647
MAT-POS-f7918075-1
0.647
PET-UNK-b1ef24dc-5
0.647
PET-UNK-b1ef24dc-8
0.647
EDG-MED-5d232de5-1
0.640
ALP-POS-ce760d3f-3
0.640
EDJ-MED-ba7e64f2-1
0.640
BEN-DND-4f474d93-2
0.640
BEN-DND-c852c98b-4
0.640
ALP-POS-696356e4-1
0.640
ALP-POS-ce760d3f-7
0.640
EDG-MED-5d232de5-2
0.640
PET-UNK-7f7e354d-1
0.632
MAT-POS-14f31916-5
0.632
MAT-POS-8040981b-1
0.629
ADA-UCB-dc2b944c-8
0.625
ALF-EVA-5b152d2f-2
0.625
MAK-UNK-8be7dca9-9
0.625
PET-UNK-03fd2068-1
0.625
PET-UNK-b1ef24dc-15
0.625
MAK-UNK-8be7dca9-5
0.622
MAT-POS-a2421bb6-3
0.622
PET-UNK-b1ef24dc-11
0.621
MAT-POS-7ddaf7de-4
0.619
MAK-UNK-8be7dca9-7
0.618
WIL-UCB-7ba4ac3a-1
0.618
MAT-POS-d8472c4f-6
0.618
MAT-POS-14f31916-1
0.618
ALF-EVA-5b152d2f-5
0.615
MAK-UNK-8be7dca9-8
0.615
ALF-EVA-5b152d2f-7
0.615
BEN-DND-c852c98b-5
0.611
BEN-DND-c852c98b-3
0.611
MAT-POS-f9802937-7
0.611
MAT-POS-acfe5bae-5
0.611
ERI-UCB-8d4e5055-4
0.611
MAT-POS-14f31916-2
0.611
MAT-POS-8293a91a-3
0.611
PET-UNK-ee8352fa-4
0.611
MAK-UNK-8be7dca9-2
0.609
ALF-EVA-5b152d2f-8
0.609
MAT-POS-b3e365b9-4
0.607
BRU-CON-c4e3408a-1
0.607
DAR-DIA-6a508060-6
0.607
JAN-GHE-f4ca5a00-13
0.607
MAT-POS-b3e365b9-3
0.607
JAG-UCB-571deb56-2
0.606
BEN-DND-c852c98b-1
0.604
BEN-DND-c852c98b-7
0.604
RUB-POS-1325a9ea-10
0.604
ERI-UCB-8d4e5055-3
0.604
PET-UNK-6314f867-1
0.604
MAT-POS-7ddaf7de-2
0.604
JOH-SUS-a69c159d-5
0.600
MAT-POS-afb6844f-1
0.600
JAG-UCB-c61058a9-7
0.600
MAK-UNK-8be7dca9-6
0.598
NAU-LAT-b7d8c353-8
0.598
PET-UNK-ee8352fa-6
0.598
RAL-THA-b9d6aec1-3
0.598
MAT-POS-acfe5bae-1
0.598
MAT-POS-ee5e8e94-2
0.598
PET-UNK-ee8352fa-5
0.598
JAG-UCB-571deb56-5
0.596
JAG-UCB-c61058a9-6
0.595
LON-WEI-0a73fcb8-7
0.593
EDJ-MED-e9694d2b-1
0.593
ERI-UCB-9c7ec71b-2
0.593
BEN-DND-c852c98b-6
0.591
PET-UNK-f4e47ebd-3
0.591
PET-UNK-f4e47ebd-4
0.591
MAT-POS-ee5e8e94-1
0.591
MAT-POS-14f31916-3
0.591
PET-UNK-b38839dc-5
0.591
TET-ENA-1a76f195-1
0.591
TET-ENA-382364b7-1
0.591
MAT-POS-afb6844f-4
0.591
MIC-UNK-7574fcc6-2
0.591
JAG-UCB-c61058a9-11
0.586
MAT-POS-afb6844f-2
0.586
RAL-THA-b9d6aec1-2
0.585
BEN-DND-c852c98b-2
0.585
RAL-THA-b9d6aec1-1
0.585
PET-UNK-b38839dc-4
0.585
JOH-SUS-a69c159d-2
0.584
JAG-UCB-c61058a9-9
0.581
ALP-POS-b3e0acc5-2
0.580
MAT-POS-1ecf5680-1
0.579
MAT-POS-1ecf5680-2
0.579
MAT-POS-afb6844f-5
0.578
BEN-DND-a7517465-5
0.578
MIC-UNK-b904ca85-2
0.578