Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CCCOc2ccc(Cl)cc21 |
MW: | 352.1 |
Fraction sp3: | 0.2 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-b3e365b9-1
MAT-POS-b3e365b9-1
0.810
MAT-POS-f7918075-1
0.810
MAT-POS-b3e365b9-2
0.810
VLA-UCB-1dbca3b4-15
0.810
ALF-EVA-5b152d2f-3
0.765
MAT-POS-bbbbc21a-2
0.695
MAT-POS-f7918075-2
0.695
EDJ-MED-12c115cc-2
0.695
EDJ-MED-12c115cc-1
0.695
MAT-POS-2e8b2191-3
0.629
PET-UNK-c0891748-4
0.629
PET-UNK-c0891748-10
0.629
RAL-THA-05e671eb-3
0.625
EDG-MED-5d232de5-1
0.618
MAT-POS-11b63608-1
0.618
EDG-MED-5d232de5-2
0.618
ALP-POS-696356e4-1
0.618
ALP-POS-ce760d3f-7
0.618
PET-UNK-c0891748-12
0.611
ADA-UCB-dc2b944c-16
0.611
MAT-POS-2e8b2191-2
0.611
PET-UNK-c0891748-6
0.611
ALF-EVA-5b152d2f-6
0.609
ALP-POS-477dc5b7-1
0.607
ADA-UCB-dc2b944c-7
0.607
MIC-UNK-91acba05-4
0.607
RAL-THA-05e671eb-4
0.607
ALP-POS-d3acb8cc-4
0.604
EDJ-MED-e4b030d8-2
0.604
EDJ-MED-e4b030d8-3
0.604
ALP-POS-d3acb8cc-1
0.604
MAT-POS-8a69d52e-1
0.604
MAT-POS-8a69d52e-2
0.604
ALP-POS-d3acb8cc-2
0.604
MAT-POS-8a69d52e-3
0.604
ALP-POS-d3acb8cc-3
0.604
ALF-EVA-5b152d2f-4
0.604
BEN-DND-c852c98b-4
0.600
EDJ-MED-92e193ae-1
0.600
ALP-POS-477dc5b7-2
0.600
MIC-UNK-91acba05-5
0.600
RAL-THA-05e671eb-5
0.600
EDJ-MED-ba7e64f2-1
0.600
ADA-UCB-dc2b944c-5
0.600
EDJ-MED-92e193ae-2
0.600
MAK-UNK-8be7dca9-10
0.598
ALP-POS-869ac754-1
0.596
RAL-THA-05e671eb-2
0.596
RYA-UNI-6d7114fd-1
0.596
ALP-UNI-3735e77e-3
0.593
RAL-THA-05e671eb-11
0.593
BEN-DND-c852c98b-5
0.591
ERI-UCB-8d4e5055-4
0.591
LUO-POS-868e8996-14
0.589
BEN-DND-4f474d93-1
0.589
MIC-UNK-91acba05-3
0.589
MAT-POS-66a736cf-1
0.589
BEN-DND-4f474d93-3
0.589
ALP-POS-ce760d3f-2
0.589
LUO-POS-868e8996-13
0.589
MAT-POS-78e1d523-1
0.589
MAT-POS-a13804f0-3
0.587
DAR-DIA-6a508060-3
0.587
RAL-THA-05e671eb-7
0.587
DAR-DIA-6a508060-8
0.587
RAL-THA-05e671eb-10
0.587
ALP-POS-d91e0300-1
0.587
ALP-POS-fe871b40-9
0.587
ALF-EVA-5b152d2f-2
0.587
PET-UNK-03fd2068-1
0.587
MAT-POS-a13804f0-2
0.587
BEN-DND-c852c98b-1
0.585
PET-UNK-6314f867-1
0.585
ALP-POS-ce760d3f-3
0.582
BEN-DND-4f474d93-2
0.582
MAK-UNK-8be7dca9-7
0.581
RAL-THA-05e671eb-6
0.581
RAL-THA-05e671eb-8
0.581
ALF-EVA-5b152d2f-7
0.579
EDJ-MED-e4b030d8-5
0.574
MAT-POS-f9802937-7
0.574
BEN-DND-c852c98b-3
0.574
MAT-POS-8293a91a-3
0.574
PET-UNK-ee8352fa-4
0.574
ALP-POS-82da25a3-2
0.574
ALP-POS-fe871b40-5
0.571
PET-UNK-c0891748-2
0.571
EDJ-MED-12f7f543-1
0.571
PET-UNK-c0891748-8
0.571
RAL-THA-05e671eb-25
0.571
MAK-UNK-8be7dca9-9
0.570
RAL-THA-05e671eb-17
0.570
RAL-THA-05e671eb-9
0.570
BEN-DND-c852c98b-7
0.568
RAL-THA-05e671eb-1
0.568
BEN-DND-c852c98b-2
0.567
VLA-UCB-1dbca3b4-16
0.565
RAL-THA-05e671eb-16
0.565
ALP-UNI-3735e77e-2
0.565
RAL-THA-4aa06b95-1
0.564