Molecular Properties | |
SMILES: | O=C(Nc1cncc2sc(CO)cc12)C1CCOc2ccc(Cl)cc21 |
MW: | 374.05 |
Fraction sp3: | 0.22 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 71.45 |
cLogP: | 3.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-a2421bb6-3
0.819
MAT-POS-ee5e8e94-1
0.800
MAT-POS-14f31916-5
0.750
MAT-POS-d8472c4f-6
0.733
MAT-POS-14f31916-1
0.733
MAT-POS-ee5e8e94-2
0.727
MAT-POS-acfe5bae-1
0.727
MAT-POS-14f31916-2
0.724
MAT-POS-acfe5bae-5
0.724
TET-ENA-1a76f195-1
0.700
MAT-POS-14f31916-3
0.700
PET-UNK-b1ef24dc-8
0.667
PET-UNK-7f7e354d-1
0.652
ALP-POS-82da25a3-2
0.630
ALP-POS-82da25a3-1
0.630
PET-UNK-b1ef24dc-7
0.629
BEN-DND-c852c98b-4
0.622
EDJ-MED-ba7e64f2-1
0.622
PET-UNK-b38839dc-3
0.622
LON-WEI-0a73fcb8-7
0.614
ALP-POS-ce760d3f-2
0.611
VLA-UCB-1dbca3b4-15
0.611
MAT-POS-f7918075-1
0.611
BEN-DND-4f474d93-3
0.611
MAT-POS-b3e365b9-2
0.611
MAT-POS-b3e365b9-1
0.611
BEN-DND-4f474d93-1
0.611
ADA-UCB-dc2b944c-8
0.609
PET-UNK-03fd2068-1
0.609
MAK-UNK-8be7dca9-5
0.606
EDG-MED-5d232de5-1
0.604
BEN-DND-4f474d93-2
0.604
EDG-MED-5d232de5-2
0.604
ALP-POS-696356e4-1
0.604
ALP-POS-ce760d3f-7
0.604
ALP-POS-ce760d3f-3
0.604
WIL-UCB-7ba4ac3a-1
0.602
NAU-LAT-b7d8c353-8
0.600
MAK-UNK-8be7dca9-6
0.600
MAK-UNK-8be7dca9-2
0.594
ALF-EVA-5b152d2f-2
0.591
MAK-UNK-8be7dca9-9
0.591
RUB-POS-1325a9ea-10
0.589
BEN-DND-c852c98b-1
0.589
MAK-UNK-8be7dca9-7
0.585
MAK-UNK-8be7dca9-8
0.583
RAL-THA-b9d6aec1-3
0.583
MAT-POS-1ecf5680-1
0.582
BEN-DND-c852c98b-5
0.579
MAT-POS-f9802937-7
0.579
MAT-POS-14f31916-4
0.579
PET-UNK-ee8352fa-4
0.579
MAT-POS-8293a91a-3
0.579
BEN-DND-c852c98b-3
0.579
ERI-UCB-8d4e5055-4
0.579
ALF-EVA-5b152d2f-8
0.577
PET-UNK-f4e47ebd-4
0.577
MAT-POS-afb6844f-3
0.576
DAR-DIA-6a508060-6
0.573
MAT-POS-b3e365b9-4
0.573
BRU-CON-c4e3408a-1
0.573
MAT-POS-b3e365b9-3
0.573
JAN-GHE-f4ca5a00-13
0.573
MAT-POS-7ddaf7de-2
0.573
BEN-DND-c852c98b-7
0.573
PET-UNK-6314f867-1
0.573
ERI-UCB-8d4e5055-3
0.573
RAL-THA-b9d6aec1-2
0.571
MAT-POS-419aafdb-1
0.570
JOH-SUS-a69c159d-5
0.568
PET-UNK-ee8352fa-6
0.567
ALF-EVA-5b152d2f-5
0.567
ALF-EVA-5b152d2f-7
0.567
PET-UNK-ee8352fa-5
0.567
MAT-POS-7ddaf7de-4
0.567
MAT-POS-afb6844f-1
0.567
JAG-UCB-571deb56-5
0.566
MIC-UNK-b904ca85-2
0.564
PET-UNK-f4e47ebd-3
0.561
BEN-DND-c852c98b-6
0.561
PET-UNK-b38839dc-5
0.561
TET-ENA-382364b7-1
0.561
ERI-UCB-9c7ec71b-2
0.560
MAK-UNK-919546f0-1
0.560
MAK-UNK-f481d203-1
0.560
MAK-UNK-f481d203-2
0.560
EDJ-MED-e9694d2b-1
0.560
JAG-UCB-571deb56-2
0.560
MIC-UNK-7574fcc6-2
0.559
PET-UNK-b38839dc-4
0.556
BEN-DND-c852c98b-2
0.556
RAL-THA-b9d6aec1-1
0.556
MAT-POS-afb6844f-2
0.554
EDJ-MED-51d3200d-4
0.554
MAT-POS-1ecf5680-2
0.550
JAG-UCB-571deb56-4
0.549
ALP-POS-b3e0acc5-2
0.548
PET-UNK-b1ef24dc-6
0.547
BEN-DND-a7517465-2
0.547
MAT-POS-419aafdb-2
0.545