Molecular Properties | |
SMILES: | O=C(Nc1cncn2cncc12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 328.07 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 68.52 |
cLogP: | 2.89 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-51d3200d-3
0.683
EDJ-MED-51d3200d-1
0.651
RAL-THA-3d7a794f-4
0.617
EDJ-MED-e18764cb-1
0.615
MAT-POS-af1eef35-1
0.615
MAT-POS-7ddaf7de-4
0.614
LON-WEI-0a73fcb8-7
0.607
EDJ-MED-e9694d2b-1
0.607
ERI-UCB-9c7ec71b-2
0.607
MAT-POS-b3e365b9-3
0.602
DAR-DIA-6a508060-6
0.602
BRU-CON-c4e3408a-1
0.602
MAT-POS-b3e365b9-4
0.602
JAN-GHE-f4ca5a00-13
0.602
MAT-POS-afb6844f-2
0.600
EDJ-MED-51d3200d-2
0.596
MAT-POS-afb6844f-1
0.595
ALP-POS-b3e0acc5-2
0.593
MAK-UNK-919546f0-1
0.588
MAK-UNK-f481d203-1
0.588
MAK-UNK-f481d203-2
0.588
VLA-UCB-1dbca3b4-15
0.586
MAT-POS-b3e365b9-1
0.586
MAT-POS-f7918075-1
0.586
BEN-DND-4f474d93-1
0.586
BEN-DND-4f474d93-3
0.586
ALP-POS-ce760d3f-2
0.586
MAT-POS-b3e365b9-2
0.586
BEN-DND-a7517465-10
0.580
BEN-DND-c852c98b-8
0.580
RAL-THA-3d7a794f-1
0.576
PET-UNK-3e029fdc-1
0.576
JOH-UNI-1b27fa5e-7
0.576
PET-UNK-e274cad4-7
0.573
MAT-POS-14f31916-5
0.573
NAU-LAT-b7d8c353-5
0.571
ALP-POS-82da25a3-2
0.571
MIC-UNK-7574fcc6-2
0.568
PET-UNK-b1ef24dc-5
0.568
MAT-POS-a2421bb6-1
0.568
MAT-POS-afb6844f-3
0.568
MAT-POS-afb6844f-4
0.568
PET-UNK-b1ef24dc-7
0.568
PET-UNK-b1ef24dc-8
0.568
ADA-UCB-dc2b944c-8
0.567
EDG-MED-0e5afe9d-2
0.567
ALF-EVA-5b152d2f-2
0.567
EDJ-MED-fb4b7746-3
0.567
MAT-POS-2bb0cf2b-2
0.565
EDJ-MED-fb4b7746-1
0.565
RAL-THA-3d7a794f-2
0.563
RAL-THA-3d7a794f-3
0.563
EDG-MED-5d232de5-2
0.562
EDG-MED-5d232de5-1
0.562
EDJ-MED-ba7e64f2-1
0.562
JOH-SUS-a69c159d-2
0.562
BEN-DND-c852c98b-4
0.562
ALP-POS-ce760d3f-7
0.562
ALP-POS-696356e4-1
0.562
BEN-DND-4f474d93-2
0.562
PET-UNK-b38839dc-3
0.562
ALP-POS-ce760d3f-3
0.562
MAT-POS-d8472c4f-6
0.560
MAT-POS-14f31916-1
0.560
PET-UNK-e274cad4-2
0.560
JAG-UCB-c61058a9-7
0.558
MAT-POS-8293a91a-1
0.558
MAT-POS-a2421bb6-4
0.557
ADA-UCB-dc2b944c-11
0.556
BEN-DND-a7517465-3
0.556
PET-UNK-b1ef24dc-6
0.556
BEN-DND-a7517465-2
0.556
BEN-DND-a7517465-5
0.556
MIC-UNK-b904ca85-2
0.556
MAT-POS-afb6844f-5
0.556
PET-UNK-7f7e354d-1
0.556
MAT-POS-8040981b-1
0.554
MAT-POS-acfe5bae-5
0.554
MAT-POS-14f31916-2
0.554
NAU-LAT-b7d8c353-6
0.553
EDJ-MED-fb4b7746-4
0.553
EDG-MED-0e5afe9d-1
0.553
VLA-UCB-53bdeed6-3
0.552
MAT-POS-1f3c8e6f-1
0.552
MAK-UNK-8be7dca9-9
0.549
EDJ-MED-fb4b7746-2
0.549
PET-UNK-03fd2068-1
0.549
MIC-UNK-b904ca85-4
0.548
MAT-POS-a2421bb6-3
0.548
JAG-UCB-c61058a9-11
0.545
JOH-UNI-1b27fa5e-6
0.545
ADA-UCB-dc2b944c-12
0.544
JOH-SUS-a69c159d-1
0.544
RAL-THA-9041a04d-5
0.544
RAL-THA-04c5403f-1
0.544
RAL-THA-9041a04d-6
0.544
MAK-UNK-8be7dca9-7
0.543
BEN-DND-a7517465-7
0.543
BEN-DND-a7517465-1
0.543
WIL-UCB-7ba4ac3a-1
0.543