Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2ccc(F)cc21 |
MW: | 322.11 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 3.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RAL-THA-05e671eb-4
1.000
MAT-POS-b3e365b9-2
0.750
MAT-POS-f7918075-1
0.750
MAT-POS-b3e365b9-1
0.750
VLA-UCB-1dbca3b4-15
0.750
MAT-POS-11b63608-1
0.741
RAL-THA-05e671eb-5
0.741
ADA-UCB-dc2b944c-5
0.741
RAL-THA-05e671eb-6
0.735
RAL-THA-05e671eb-7
0.723
DAR-DIA-6a508060-3
0.723
DAR-DIA-6a508060-8
0.723
ALF-EVA-ced740bd-4
0.722
RAL-THA-05e671eb-8
0.714
ALP-UNI-3735e77e-3
0.711
RAL-THA-05e671eb-11
0.711
RAL-THA-05e671eb-13
0.707
RAL-THA-05e671eb-1
0.688
ALP-POS-d91e0300-1
0.682
RAL-THA-05e671eb-10
0.682
MAT-POS-a13804f0-2
0.682
MAT-POS-a13804f0-3
0.682
ALP-POS-fe871b40-9
0.682
RYA-UNI-6d7114fd-1
0.675
ALP-POS-869ac754-1
0.675
RAL-THA-05e671eb-2
0.675
RAL-THA-05e671eb-9
0.644
ALP-POS-c86619f0-1
0.640
RAL-THA-05e671eb-3
0.628
ALP-POS-696356e4-1
0.621
ALP-POS-ce760d3f-7
0.621
RAL-THA-05e671eb-15
0.621
EDG-MED-5d232de5-2
0.621
EDG-MED-5d232de5-1
0.621
RAL-THA-05e671eb-12
0.621
RAL-THA-05e671eb-22
0.619
ALF-EVA-5b152d2f-1
0.607
PET-UNK-03fd2068-1
0.607
RAL-THA-05e671eb-17
0.607
RAL-THA-05e671eb-14
0.600
RAL-THA-05e671eb-28
0.596
RAL-THA-05e671eb-33
0.591
ALP-UNI-3735e77e-2
0.584
RAL-THA-05e671eb-16
0.584
RAL-THA-05e671eb-21
0.581
RAL-THA-05e671eb-29
0.578
RAL-THA-05e671eb-35
0.578
EDJ-MED-e4b030d8-8
0.578
VLA-UNK-9a7dc93f-4
0.576
ALP-POS-869ac754-2
0.575
EDJ-MED-12f7f543-1
0.573
ALP-POS-fe871b40-5
0.573
PET-UNK-c0891748-8
0.573
RAL-THA-05e671eb-34
0.573
PET-UNK-c0891748-2
0.573
RAL-THA-05e671eb-25
0.573
RAL-THA-05e671eb-23
0.573
EDJ-MED-e4b030d8-10
0.567
RAL-THA-05e671eb-27
0.567
RAL-THA-05e671eb-32
0.562
ALP-POS-ce760d3f-1
0.560
RAL-THA-05e671eb-30
0.559
EDJ-MED-e4b030d8-9
0.556
RAL-THA-05e671eb-24
0.556
RAL-THA-05e671eb-18
0.554
ALF-EVA-ced740bd-3
0.552
RAL-THA-05e671eb-26
0.549
MAT-POS-bbbbc21a-2
0.545
MAT-POS-f7918075-2
0.545
EDJ-MED-12c115cc-1
0.545
EDJ-MED-12c115cc-2
0.545
RAL-THA-05e671eb-36
0.543
EDJ-MED-e4b030d8-5
0.543
EDJ-MED-e4b030d8-7
0.543
RAL-THA-05e671eb-19
0.543
DAR-DIA-6a508060-4
0.543
MAT-POS-43fe65f4-1
0.543
MIC-UNK-08fa0751-1
0.541
MAT-POS-5369c344-1
0.541
DAR-DIA-0587064e-15
0.541
BEN-DND-4f474d93-1
0.538
ALP-POS-ce760d3f-2
0.538
BEN-DND-4f474d93-3
0.538
MAT-POS-ec6d90b7-7
0.538
EDJ-MED-611d11e7-6
0.538
MAT-POS-96f51285-5
0.538
ALF-EVA-5b152d2f-4
0.538
ALF-EVA-5b152d2f-2
0.538
PET-UNK-6314f867-1
0.537
RAL-THA-05e671eb-31
0.537
ALP-POS-fe871b40-1
0.537
RAL-THA-05e671eb-20
0.537
BEN-DND-4f474d93-2
0.533
EDJ-MED-ba7e64f2-1
0.533
BEN-DND-c852c98b-4
0.533
ALP-POS-ce760d3f-3
0.533
ALF-EVA-5b152d2f-6
0.526
PET-UNK-03fd2068-2
0.526
MAT-POS-8293a91a-3
0.526
LAU-MED-88a3970a-5
0.526