Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCOc2cc(Cl)c(F)cc21 |
MW: | 356.07 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-c9c1e0d8-3
RAL-THA-05e671eb-11
1.000
MAT-POS-a13804f0-3
0.835
RAL-THA-05e671eb-10
0.835
ALP-POS-d91e0300-1
0.835
MAT-POS-a13804f0-2
0.835
ALP-POS-fe871b40-9
0.835
RYA-UNI-6d7114fd-1
0.808
ALP-POS-869ac754-1
0.808
RAL-THA-05e671eb-2
0.808
RAL-THA-05e671eb-9
0.726
RAL-THA-05e671eb-3
0.711
MAT-POS-b3e365b9-2
0.711
ADA-UCB-dc2b944c-7
0.711
MAT-POS-f7918075-1
0.711
VLA-UCB-1dbca3b4-15
0.711
MAT-POS-b3e365b9-1
0.711
RAL-THA-05e671eb-4
0.711
RAL-THA-05e671eb-13
0.690
MAT-POS-11b63608-1
0.644
ADA-UCB-dc2b944c-5
0.644
RAL-THA-05e671eb-5
0.644
RAL-THA-05e671eb-15
0.644
RAL-THA-05e671eb-12
0.644
RAL-THA-05e671eb-14
0.640
RAL-THA-05e671eb-6
0.640
RAL-THA-05e671eb-1
0.631
RAL-THA-05e671eb-7
0.629
RAL-THA-05e671eb-17
0.629
MAT-POS-96f51285-5
0.629
MAT-POS-ec6d90b7-7
0.629
DAR-DIA-6a508060-3
0.629
DAR-DIA-6a508060-8
0.629
EDJ-MED-611d11e7-6
0.629
BEN-DND-d1eb1f41-18
0.625
RAL-THA-05e671eb-21
0.624
RAL-THA-05e671eb-22
0.624
RAL-THA-05e671eb-8
0.622
RAL-THA-05e671eb-28
0.618
ALP-POS-869ac754-2
0.616
BEN-DND-d1eb1f41-11
0.615
PET-UNK-03fd2068-2
0.615
PET-UNK-f4e47ebd-6
0.611
ALP-POS-c86619f0-1
0.607
ALP-UNI-3735e77e-2
0.607
RAL-THA-05e671eb-16
0.607
EDJ-MED-611d11e7-12
0.604
MAT-POS-a5ef2d74-1
0.604
PET-UNK-f4e47ebd-5
0.604
MAT-POS-ec6d90b7-3
0.604
RAL-THA-05e671eb-32
0.602
RAL-THA-05e671eb-29
0.600
EDJ-MED-e4b030d8-8
0.600
PET-UNK-c0891748-2
0.596
EDJ-MED-12f7f543-1
0.596
PET-UNK-c0891748-8
0.596
ALP-POS-fe871b40-5
0.596
ROB-UNI-6ee2df8c-1
0.596
RAL-THA-05e671eb-25
0.596
RAL-THA-05e671eb-33
0.596
ALF-EVA-5b152d2f-1
0.593
RAL-THA-05e671eb-27
0.589
EDJ-MED-e4b030d8-10
0.589
VLA-UNK-56836b69-4
0.584
ALP-POS-ce760d3f-1
0.582
EDJ-MED-611d11e7-9
0.579
MAT-POS-96f51285-3
0.579
MAT-POS-96f51285-4
0.579
EDJ-MED-611d11e7-3
0.579
RAL-THA-05e671eb-18
0.576
ALP-POS-fe871b40-10
0.576
ALP-UNI-ba800595-2
0.576
BEN-DND-d1eb1f41-13
0.573
RAL-THA-05e671eb-26
0.571
MAT-POS-f7918075-2
0.568
ALF-EVA-ced740bd-4
0.568
EDJ-MED-12c115cc-1
0.568
MAT-POS-bbbbc21a-2
0.568
EDJ-MED-12c115cc-2
0.568
EDJ-MED-e4b030d8-5
0.564
EDJ-MED-e4b030d8-7
0.564
DAR-DIA-6a508060-4
0.564
RAL-THA-05e671eb-19
0.564
MAT-POS-43fe65f4-1
0.564
RAL-THA-05e671eb-30
0.564
VLA-UNK-9a7dc93f-4
0.564
EDJ-MED-e4b030d8-9
0.560
RAL-THA-05e671eb-24
0.560
RAL-THA-05e671eb-31
0.558
ALP-POS-fe871b40-1
0.558
RAL-THA-05e671eb-20
0.558
ALP-POS-ce760d3f-7
0.554
ALP-POS-696356e4-1
0.554
EDG-MED-5d232de5-1
0.554
EDG-MED-5d232de5-2
0.554
RAL-THA-05e671eb-35
0.548
LAU-MED-88a3970a-5
0.546
LAU-MED-88a3970a-6
0.546
MIC-UNK-08fa0751-1
0.545
MAT-POS-5369c344-1
0.545
DAR-DIA-0587064e-15
0.545