Molecular Properties | |
SMILES: | O=C(Nc1cncc2sccc12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 344.04 |
Fraction sp3: | 0.18 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-b1ef24dc-8
0.711
MAT-POS-14f31916-5
0.674
MAT-POS-d8472c4f-6
0.659
MAT-POS-14f31916-1
0.659
MAT-POS-8040981b-1
0.652
MAT-POS-acfe5bae-5
0.652
MAT-POS-14f31916-2
0.652
BEN-DND-4f474d93-3
0.651
ALP-POS-ce760d3f-2
0.651
BEN-DND-4f474d93-1
0.651
MAT-POS-a2421bb6-3
0.644
BEN-DND-4f474d93-2
0.644
ALP-POS-ce760d3f-3
0.644
MAT-POS-ee5e8e94-2
0.637
MAT-POS-acfe5bae-1
0.637
VLA-UCB-1dbca3b4-15
0.632
PET-UNK-b1ef24dc-7
0.632
MAT-POS-f7918075-1
0.632
MAT-POS-b3e365b9-2
0.632
MAT-POS-b3e365b9-1
0.632
MAT-POS-ee5e8e94-1
0.630
PET-UNK-f4e47ebd-4
0.630
MAT-POS-14f31916-3
0.630
TET-ENA-1a76f195-1
0.630
PET-UNK-03fd2068-1
0.629
ADA-UCB-dc2b944c-8
0.629
ALF-EVA-5b152d2f-2
0.629
BEN-DND-c852c98b-4
0.625
EDG-MED-5d232de5-2
0.625
ALP-POS-696356e4-1
0.625
PET-UNK-b38839dc-3
0.625
EDG-MED-5d232de5-1
0.625
EDJ-MED-ba7e64f2-1
0.625
ALP-POS-ce760d3f-7
0.625
WIL-UCB-7ba4ac3a-1
0.622
ERI-UCB-9c7ec71b-2
0.616
EDJ-MED-e9694d2b-1
0.616
MAT-POS-f9802937-7
0.615
MAT-POS-b3e365b9-3
0.612
DAR-DIA-6a508060-6
0.612
MAT-POS-b3e365b9-4
0.612
BRU-CON-c4e3408a-1
0.612
JAN-GHE-f4ca5a00-13
0.612
PET-UNK-7f7e354d-3
0.611
MAK-UNK-8be7dca9-9
0.611
MAK-UNK-8be7dca9-7
0.604
MAK-UNK-8be7dca9-8
0.602
PET-UNK-ee8352fa-4
0.598
ALP-POS-82da25a3-1
0.598
MAT-POS-8293a91a-3
0.598
BEN-DND-c852c98b-5
0.598
BEN-DND-c852c98b-3
0.598
ERI-UCB-8d4e5055-4
0.598
ALP-POS-82da25a3-2
0.598
MAK-UNK-f481d203-1
0.598
MAK-UNK-f481d203-2
0.598
LON-WEI-0a73fcb8-7
0.598
MAK-UNK-919546f0-1
0.598
ALF-EVA-5b152d2f-8
0.596
PET-UNK-f4e47ebd-3
0.596
MAK-UNK-8be7dca9-2
0.596
PET-UNK-7f7e354d-2
0.593
MAT-POS-7ddaf7de-2
0.591
BEN-DND-c852c98b-1
0.591
MAK-UNK-8be7dca9-5
0.591
PET-UNK-6314f867-1
0.591
RUB-POS-1325a9ea-10
0.591
BEN-DND-c852c98b-7
0.591
ERI-UCB-8d4e5055-3
0.591
PET-UNK-b38839dc-4
0.589
MAT-POS-afb6844f-1
0.586
MAT-POS-7ddaf7de-4
0.586
PET-UNK-ee8352fa-6
0.585
NAU-LAT-b7d8c353-8
0.585
MAK-UNK-8be7dca9-6
0.585
RAL-THA-b9d6aec1-3
0.585
PET-UNK-ee8352fa-5
0.585
ALF-EVA-5b152d2f-5
0.585
ALF-EVA-5b152d2f-7
0.585
ALP-POS-b3e0acc5-2
0.584
MAT-POS-14f31916-4
0.581
BEN-DND-c852c98b-6
0.579
TET-ENA-382364b7-1
0.579
PET-UNK-b38839dc-5
0.579
MAT-POS-a2421bb6-1
0.578
MIC-UNK-7574fcc6-2
0.578
JAG-UCB-571deb56-2
0.577
MAT-POS-afb6844f-2
0.573
RAL-THA-b9d6aec1-1
0.573
RAL-THA-b9d6aec1-2
0.573
BEN-DND-c852c98b-2
0.573
BEN-DND-a7517465-10
0.571
BEN-DND-c852c98b-8
0.571
JOH-SUS-a69c159d-5
0.570
RAL-THA-3d7a794f-4
0.570
MAT-POS-1ecf5680-1
0.567
MAT-POS-1ecf5680-2
0.567
JAG-UCB-571deb56-5
0.567
JAG-UCB-571deb56-4
0.566
MIC-UNK-b904ca85-2
0.565