Molecular Properties | |
SMILES: | O=C(Nc1cncn2nccc12)[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-4
0.683
MAT-POS-b3e365b9-4
0.646
MAT-POS-b3e365b9-3
0.646
DAR-DIA-6a508060-6
0.646
BRU-CON-c4e3408a-1
0.646
JAN-GHE-f4ca5a00-13
0.646
EDJ-MED-51d3200d-2
0.636
ERI-UCB-9c7ec71b-2
0.631
EDJ-MED-e9694d2b-1
0.631
NAU-LAT-b7d8c353-5
0.629
MAK-UNK-919546f0-1
0.612
MAK-UNK-f481d203-2
0.612
LON-WEI-0a73fcb8-7
0.612
MAK-UNK-f481d203-1
0.612
RAL-THA-3d7a794f-4
0.602
EDJ-MED-51d3200d-1
0.600
BEN-DND-4f474d93-3
0.591
ALP-POS-ce760d3f-2
0.591
BEN-DND-4f474d93-1
0.591
MAT-POS-afb6844f-2
0.586
BEN-DND-4f474d93-2
0.584
ALP-POS-ce760d3f-3
0.584
BEN-DND-a7517465-7
0.582
MAT-POS-7ddaf7de-4
0.581
MAT-POS-afb6844f-1
0.581
ALP-POS-b3e0acc5-2
0.580
NAU-LAT-b7d8c353-6
0.574
VLA-UCB-1dbca3b4-15
0.573
MAT-POS-b3e365b9-2
0.573
MAT-POS-b3e365b9-1
0.573
MAT-POS-f7918075-1
0.573
MAT-POS-a54ce14d-1
0.571
RAL-THA-9041a04d-4
0.571
RAL-THA-3d7a794f-2
0.568
RAL-THA-9041a04d-6
0.567
PET-UNK-e274cad4-2
0.565
RAL-THA-3d7a794f-1
0.563
MAT-POS-8293a91a-1
0.563
PET-UNK-3e029fdc-1
0.563
MAT-POS-a2421bb6-4
0.562
BEN-DND-a7517465-3
0.560
BEN-DND-a7517465-5
0.560
BEN-DND-a7517465-2
0.560
MIC-UNK-b904ca85-2
0.560
MAT-POS-14f31916-5
0.560
PET-UNK-e274cad4-7
0.560
MAT-POS-1f3c8e6f-1
0.557
MAT-POS-afb6844f-4
0.556
PET-UNK-b1ef24dc-7
0.556
PET-UNK-b1ef24dc-8
0.556
MAT-POS-afb6844f-3
0.556
MAT-POS-a2421bb6-1
0.556
PET-UNK-b1ef24dc-5
0.556
MIC-UNK-7574fcc6-2
0.556
ALF-EVA-5b152d2f-2
0.554
JAG-UCB-52b62a6f-13
0.554
ADA-UCB-dc2b944c-8
0.554
EDJ-MED-fb4b7746-1
0.553
MIC-UNK-b904ca85-4
0.553
MAT-POS-2bb0cf2b-2
0.553
MAT-POS-af1eef35-1
0.552
EDJ-MED-e18764cb-1
0.552
RAL-THA-3d7a794f-3
0.551
RAL-THA-9041a04d-5
0.549
PET-UNK-b38839dc-3
0.549
BEN-DND-a7517465-10
0.549
RAL-THA-04c5403f-1
0.549
EDG-MED-5d232de5-2
0.549
ALP-POS-696356e4-1
0.549
JOH-SUS-a69c159d-2
0.549
BEN-DND-c852c98b-4
0.549
BEN-DND-c852c98b-8
0.549
ALP-POS-ce760d3f-7
0.549
EDJ-MED-ba7e64f2-1
0.549
EDG-MED-5d232de5-1
0.549
BEN-DND-a7517465-8
0.548
BEN-DND-c852c98b-10
0.548
BEN-DND-a7517465-1
0.548
MAT-POS-d8472c4f-6
0.548
MAT-POS-14f31916-1
0.548
RAL-THA-b74298ba-1
0.547
JAG-UCB-c61058a9-22
0.545
JOH-UNI-1b27fa5e-7
0.545
JAG-UCB-c61058a9-7
0.545
PET-UNK-7f7e354d-1
0.543
PET-UNK-b1ef24dc-6
0.543
MAT-POS-afb6844f-5
0.543
MAT-POS-14f31916-2
0.543
PET-UNK-ee8352fa-4
0.543
RAL-THA-9041a04d-7
0.543
MAT-POS-acfe5bae-5
0.543
MAT-POS-8040981b-1
0.543
TET-ENA-382364b7-1
0.542
VLA-UCB-53bdeed6-3
0.539
PET-UNK-03fd2068-1
0.538
EDJ-MED-fb4b7746-3
0.538
MAK-UNK-8be7dca9-9
0.538
JOH-UNI-1b27fa5e-1
0.538
EDJ-MED-fb4b7746-2
0.538
EDG-MED-0e5afe9d-2
0.538