Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCOc2ccc(Cl)c(F)c21 |
MW: | 356.07 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 51.22 |
cLogP: | 4.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
RAL-THA-05e671eb-27
0.744
EDJ-MED-e4b030d8-10
0.744
EDJ-MED-e4b030d8-8
0.735
RAL-THA-05e671eb-29
0.735
RAL-THA-05e671eb-30
0.709
RAL-THA-05e671eb-31
0.701
RAL-THA-05e671eb-32
0.699
RAL-THA-05e671eb-33
0.671
RAL-THA-05e671eb-34
0.632
RAL-THA-05e671eb-36
0.618
RAL-THA-05e671eb-35
0.618
RAL-THA-05e671eb-11
0.618
ALP-UNI-3735e77e-3
0.618
ALP-UNI-4b8a177c-1
0.607
ALP-POS-869ac754-1
0.602
RAL-THA-05e671eb-2
0.602
RYA-UNI-6d7114fd-1
0.602
ADA-UCB-dc2b944c-7
0.596
RAL-THA-05e671eb-4
0.596
MAT-POS-a13804f0-2
0.593
MAT-POS-a13804f0-3
0.593
RAL-THA-05e671eb-10
0.593
ALP-POS-fe871b40-9
0.593
ALP-POS-d91e0300-1
0.593
RAL-THA-05e671eb-13
0.578
VLA-UCB-1dbca3b4-15
0.578
MAT-POS-b3e365b9-2
0.578
EDJ-MED-e4b030d8-9
0.578
MAT-POS-b3e365b9-1
0.578
MAT-POS-f7918075-1
0.578
RAL-THA-05e671eb-21
0.568
ALP-POS-869ac754-2
0.562
RAL-THA-05e671eb-3
0.560
RAL-THA-05e671eb-9
0.559
RAL-THA-05e671eb-1
0.557
RAL-THA-05e671eb-5
0.554
ADA-UCB-dc2b944c-5
0.554
RAL-THA-05e671eb-26
0.554
RAL-THA-05e671eb-12
0.538
MAT-POS-11b63608-1
0.538
RAL-THA-05e671eb-6
0.537
RAL-THA-05e671eb-22
0.533
JOH-UNI-04a01eac-3
0.533
DAR-DIA-6a508060-3
0.526
RAL-THA-05e671eb-17
0.526
RAL-THA-05e671eb-7
0.526
DAR-DIA-6a508060-8
0.526
ALP-UNI-3735e77e-2
0.521
BEN-DND-d1eb1f41-18
0.521
RAL-THA-05e671eb-16
0.521
RAL-THA-05e671eb-15
0.521
RAL-THA-05e671eb-8
0.521
FRA-DIA-0fa076fe-1
0.517
FRA-DIA-c7e803f4-1
0.517
ALF-EVA-ced740bd-4
0.516
ALP-POS-ce760d3f-1
0.516
PET-UNK-c0891748-2
0.511
PET-UNK-c0891748-8
0.511
ALP-POS-fe871b40-5
0.511
RAL-THA-05e671eb-25
0.511
EDJ-MED-12f7f543-1
0.511
BEN-BAS-c2bc0d80-5
0.510
ALF-EVA-5b152d2f-1
0.510
ALP-POS-c86619f0-1
0.505
RAL-THA-05e671eb-14
0.505
EDJ-MED-12c115cc-1
0.500
MAT-POS-2e8b2191-3
0.500
JOH-UNI-04a01eac-1
0.500
MAT-POS-f7918075-2
0.500
VLA-UNK-9a7dc93f-4
0.500
EDJ-MED-12c115cc-2
0.500
VLA-UNK-9a7dc93f-3
0.500
MAT-POS-bbbbc21a-2
0.500
RAL-THA-05e671eb-18
0.495
RAL-THA-05e671eb-24
0.495
JOH-UNI-d0d90dc1-1
0.489
MIC-UNK-08fa0751-1
0.485
MAT-POS-43fe65f4-1
0.485
BEN-DND-d1eb1f41-11
0.485
EDJ-MED-e4b030d8-5
0.485
EDJ-MED-e4b030d8-7
0.485
DAR-DIA-6a508060-4
0.485
RAL-THA-05e671eb-19
0.485
ALF-EVA-5b152d2f-6
0.485
FRA-DIA-0fa076fe-2
0.484
ALP-POS-fe871b40-1
0.480
RAL-THA-05e671eb-20
0.480
RAL-THA-05e671eb-23
0.479
MIC-UNK-8758c41d-2
0.479
MIC-UNK-8758c41d-1
0.479
ALF-EVA-b701bd13-4
0.479
ALP-UNI-c3ef0aba-1
0.479
DAR-DIA-0587064e-26
0.477
LAU-MED-88a3970a-8
0.476
LAU-MED-88a3970a-7
0.476
EDJ-MED-e4b030d8-4
0.476
LAU-MED-88a3970a-5
0.471
LAU-MED-88a3970a-6
0.471
VLA-UNK-8e76d113-1
0.471
JOH-UNI-d0d90dc1-4
0.469