Molecular Properties | |
SMILES: | O=C(Nc1cncc2occc12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 328.06 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 64.36 |
cLogP: | 3.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MIC-UNK-ea4eb352-1
ALP-POS-f1807566-3
EDJ-MED-00c1612e-1
ADA-UCB-6c2cb422-1
PET-UNK-7f7e354d-7
MAT-POS-4223bc15-2
JIN-POS-6dc588a4-22
PET-UNK-88d26eaf-1
MAT-POS-24589f88-3
PET-UNK-29afea89-2
MAR-UCB-fd2e172f-41
PET-UNK-9bf1291a-1
MIC-UNK-91acba05-1
MAT-POS-b3e365b9-1
EDJ-MED-b7309adf-2
MIC-UNK-91acba05-3
JIN-POS-6dc588a4-11
PET-UNK-b1ef24dc-7
0.699
BEN-DND-c852c98b-4
0.651
EDJ-MED-ba7e64f2-1
0.651
ERI-UCB-8d4e5055-4
0.640
BEN-DND-c852c98b-5
0.640
MAT-POS-f7918075-1
0.640
BEN-DND-4f474d93-1
0.640
BEN-DND-4f474d93-3
0.640
ALP-POS-ce760d3f-2
0.640
PET-UNK-b1ef24dc-8
0.640
MAT-POS-b3e365b9-1
0.640
VLA-UCB-1dbca3b4-15
0.640
MAT-POS-b3e365b9-2
0.640
ALP-POS-696356e4-1
0.632
EDG-MED-5d232de5-2
0.632
BEN-DND-4f474d93-2
0.632
ALP-POS-ce760d3f-7
0.632
EDG-MED-5d232de5-1
0.632
ALP-POS-ce760d3f-3
0.632
MAT-POS-14f31916-1
0.629
MAT-POS-d8472c4f-6
0.629
MAT-POS-14f31916-5
0.625
PET-UNK-7f7e354d-1
0.625
MAT-POS-f9802937-7
0.622
ALP-POS-82da25a3-1
0.622
ALP-POS-82da25a3-2
0.622
MAT-POS-8040981b-1
0.622
PET-UNK-03fd2068-1
0.618
ADA-UCB-dc2b944c-8
0.618
ALF-EVA-5b152d2f-2
0.618
MAK-UNK-8be7dca9-9
0.618
MAT-POS-afb6844f-1
0.612
WIL-UCB-7ba4ac3a-1
0.611
MAK-UNK-8be7dca9-7
0.611
PET-UNK-ee8352fa-5
0.609
PET-UNK-b38839dc-15
0.607
MAT-POS-14f31916-2
0.604
PET-UNK-ee8352fa-4
0.604
MAT-POS-acfe5bae-5
0.604
MAT-POS-8293a91a-3
0.604
BEN-DND-c852c98b-3
0.604
PET-UNK-b1ef24dc-5
0.602
MAT-POS-14f31916-3
0.602
BEN-DND-c852c98b-1
0.598
BEN-DND-c852c98b-7
0.598
PET-UNK-6314f867-1
0.598
RUB-POS-1325a9ea-10
0.598
MAT-POS-a2421bb6-3
0.598
ERI-UCB-8d4e5055-3
0.598
MAK-UNK-8be7dca9-5
0.598
MAT-POS-7ddaf7de-2
0.598
MAT-POS-afb6844f-2
0.598
RAL-THA-b9d6aec1-2
0.596
MAT-POS-7ddaf7de-4
0.593
MAT-POS-ee5e8e94-2
0.591
RAL-THA-b9d6aec1-3
0.591
MAT-POS-acfe5bae-1
0.591
PET-UNK-ee8352fa-6
0.591
ALF-EVA-5b152d2f-5
0.591
ALF-EVA-5b152d2f-7
0.591
MAK-UNK-8be7dca9-6
0.591
NAU-LAT-b7d8c353-8
0.591
MAK-UNK-8be7dca9-8
0.591
ALP-POS-b3e0acc5-2
0.591
MIC-UNK-b904ca85-2
0.589
LON-WEI-0a73fcb8-7
0.586
BEN-DND-c852c98b-6
0.585
PET-UNK-f4e47ebd-3
0.585
PET-UNK-b38839dc-5
0.585
MAT-POS-ee5e8e94-1
0.585
PET-UNK-f4e47ebd-4
0.585
MAK-UNK-8be7dca9-2
0.585
ALF-EVA-5b152d2f-8
0.585
TET-ENA-1a76f195-1
0.585
TET-ENA-382364b7-1
0.585
MIC-UNK-7574fcc6-2
0.584
MAT-POS-a2421bb6-1
0.584
MAT-POS-b3e365b9-4
0.581
JAN-GHE-f4ca5a00-13
0.581
DAR-DIA-6a508060-6
0.581
BRU-CON-c4e3408a-1
0.581
MAT-POS-b3e365b9-3
0.581
ALF-EVA-ced740bd-1
0.581
BEN-DND-c852c98b-2
0.579
RAL-THA-b9d6aec1-1
0.579
PET-UNK-b38839dc-4
0.579
BEN-DND-c852c98b-8
0.578
BEN-DND-a7517465-10
0.578
JOH-SUS-a69c159d-5
0.576
MAT-POS-a2421bb6-2
0.576
JAG-UCB-571deb56-5
0.573
MAT-POS-1ecf5680-1
0.573
MAT-POS-1ecf5680-2
0.573
BEN-DND-a7517465-3
0.571
PET-UNK-b1ef24dc-6
0.571
ERI-UCB-9c7ec71b-2
0.568
EDJ-MED-e9694d2b-1
0.568
MAK-UNK-919546f0-1
0.568
MAK-UNK-f481d203-1
0.568
MAK-UNK-f481d203-2
0.568