Molecular Properties | |
SMILES: | O=C(Nc1cncc2cccc(O)c12)[C@@H]1CCOc2ccc(Cl)cc21 |
MW: | 354.08 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.45 |
cLogP: | 4.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-a7517465-3
0.756
BEN-DND-a7517465-5
0.756
BEN-DND-a7517465-1
0.738
BEN-DND-a7517465-6
0.713
ALF-EVA-ced740bd-2
0.674
MIC-UNK-7574fcc6-2
0.671
ALF-EVA-ced740bd-1
0.663
PET-UNK-e274cad4-7
0.618
MAT-POS-b3e365b9-2
0.614
MAT-POS-f7918075-1
0.614
VLA-UCB-1dbca3b4-15
0.614
MAT-POS-b3e365b9-1
0.614
EDJ-MED-ba7e64f2-1
0.607
BEN-DND-c852c98b-4
0.607
ALP-POS-b3e0acc5-2
0.602
PET-UNK-ee8352fa-4
0.598
PET-UNK-b1ef24dc-5
0.596
ALP-POS-ce760d3f-2
0.596
BEN-DND-4f474d93-1
0.596
BEN-DND-4f474d93-3
0.596
JAG-UCB-52b62a6f-13
0.593
ADA-UCB-dc2b944c-8
0.593
MAK-UNK-8be7dca9-5
0.591
ALP-POS-ce760d3f-3
0.589
ALP-POS-ce760d3f-7
0.589
BEN-DND-4f474d93-2
0.589
ALP-POS-696356e4-1
0.589
EDG-MED-5d232de5-2
0.589
EDG-MED-5d232de5-1
0.589
PET-UNK-e274cad4-2
0.587
MAT-POS-7ddaf7de-4
0.586
MAT-POS-afb6844f-1
0.586
PET-UNK-b1ef24dc-6
0.582
ALP-POS-82da25a3-1
0.581
ALF-EVA-5b152d2f-2
0.576
PET-UNK-03fd2068-1
0.576
MAK-UNK-8be7dca9-9
0.576
MAT-POS-b3e365b9-4
0.575
JAN-GHE-f4ca5a00-13
0.575
DAR-DIA-6a508060-6
0.575
BRU-CON-c4e3408a-1
0.575
MAT-POS-b3e365b9-3
0.575
MAT-POS-a2421bb6-3
0.574
BEN-DND-c852c98b-1
0.574
MAT-POS-afb6844f-2
0.573
WIL-UCB-7ba4ac3a-1
0.570
MAK-UNK-8be7dca9-7
0.570
MIC-UNK-b904ca85-3
0.568
NAU-LAT-b7d8c353-8
0.568
MAK-UNK-8be7dca9-6
0.568
RAL-THA-b9d6aec1-3
0.568
MIC-UNK-b904ca85-2
0.565
MAT-POS-14f31916-5
0.565
BEN-DND-c852c98b-5
0.564
ERI-UCB-8d4e5055-4
0.564
MAT-POS-14f31916-4
0.564
ALP-POS-82da25a3-2
0.564
MAT-POS-f9802937-7
0.564
MAT-POS-8293a91a-3
0.564
BEN-DND-c852c98b-3
0.564
ALF-EVA-5b152d2f-8
0.562
PET-UNK-f4e47ebd-3
0.562
MAK-UNK-8be7dca9-2
0.562
MAK-UNK-f481d203-1
0.562
MAK-UNK-f481d203-2
0.562
LON-WEI-0a73fcb8-7
0.562
EDJ-MED-e9694d2b-1
0.562
MAK-UNK-919546f0-1
0.562
ERI-UCB-9c7ec71b-2
0.562
JAG-UCB-571deb56-2
0.561
MAT-POS-afb6844f-3
0.560
MAT-POS-afb6844f-4
0.560
EDJ-MED-51d3200d-3
0.560
PET-UNK-b1ef24dc-8
0.560
MAT-POS-a2421bb6-1
0.560
PET-UNK-b1ef24dc-7
0.560
EDG-MED-0e5afe9d-2
0.559
EDJ-MED-fb4b7746-2
0.559
EDJ-MED-fb4b7746-3
0.559
PET-UNK-6314f867-1
0.558
MIC-UNK-b904ca85-4
0.558
BEN-DND-c852c98b-7
0.558
RUB-POS-1325a9ea-10
0.558
ERI-UCB-8d4e5055-3
0.558
MAT-POS-7ddaf7de-2
0.558
RAL-THA-b9d6aec1-1
0.557
EDJ-MED-51d3200d-4
0.556
BEN-DND-c852c98b-8
0.554
BEN-DND-a7517465-10
0.554
PET-UNK-b38839dc-3
0.554
PET-UNK-ee8352fa-5
0.552
ALF-EVA-5b152d2f-7
0.552
PET-UNK-ee8352fa-6
0.552
ALF-EVA-5b152d2f-5
0.552
MAK-UNK-8be7dca9-8
0.552
JAG-UCB-571deb56-5
0.551
MAT-POS-8293a91a-1
0.551
JAG-UCB-571deb56-4
0.550
PET-UNK-7f7e354d-1
0.548
MAT-POS-afb6844f-5
0.548