Molecular Properties | |
SMILES: | O=C1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)c(F)cc2N1 |
MW: | 369.07 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.09 |
cLogP: | 4.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UNK-56836b69-1
0.790
MIC-UNK-8758c41d-3
0.790
ALP-POS-fe871b40-16
0.790
MIC-UNK-45817b9b-1
0.706
EDJ-MED-a6bd50ad-1
0.706
MAT-POS-43c25e9b-1
0.706
MAT-POS-43c25e9b-2
0.706
VLA-UNK-9a7dc93f-3
0.659
MAT-POS-8d5af1ef-1
0.648
ALP-UNI-ba800595-2
0.633
ALP-POS-fe871b40-10
0.633
ALF-EVA-b701bd13-6
0.615
MAT-POS-f39f51fd-1
0.611
ALP-POS-fe871b40-14
0.581
ALP-POS-fe871b40-13
0.562
ALP-POS-d91e0300-1
0.547
RAL-THA-05e671eb-10
0.547
ALP-POS-fe871b40-9
0.547
MAT-POS-a13804f0-2
0.547
MAT-POS-a13804f0-3
0.547
PET-UNK-9b23ef84-3
0.541
PET-UNK-1b92fa34-3
0.536
ALF-EVA-b701bd13-4
0.533
ALP-UNI-3735e77e-3
0.521
RAL-THA-05e671eb-11
0.521
MAT-POS-f9802937-8
0.516
MAT-POS-f9802937-9
0.516
MAT-POS-78e1d523-6
0.516
ALP-UNI-3735e77e-4
0.516
MAT-POS-78e1d523-5
0.516
DAR-DIA-9f765dc6-3
0.515
DAR-DIA-9f765dc6-1
0.515
DAR-DIA-9f765dc6-4
0.515
MAT-POS-64942dd0-3
0.515
EDJ-MED-015fb6b4-3
0.515
MAR-UCB-6ab2ec87-1
0.511
ALF-EVA-82cf4849-1
0.505
ALF-EVA-b701bd13-5
0.505
PET-UNK-c0891748-6
0.505
PET-UNK-c0891748-12
0.505
VLA-UNK-8e76d113-2
0.505
ALF-EVA-82cf4849-2
0.505
MIC-UNK-8758c41d-2
0.500
PET-UNK-9b23ef84-10
0.500
MIC-UNK-45817b9b-2
0.500
PET-UNK-9b23ef84-15
0.500
EDJ-MED-cf877e1d-1
0.500
ALP-POS-477dc5b7-2
0.495
EDJ-MED-92e193ae-1
0.495
EDJ-MED-92e193ae-2
0.495
MIC-UNK-91acba05-5
0.495
ALF-EVA-b701bd13-3
0.495
BEN-BAS-c2bc0d80-1
0.495
VLA-UNK-8e76d113-1
0.490
MAT-POS-2e8b2191-3
0.490
ROB-UNI-322e8f70-2
0.490
BEN-DND-a02b439d-14
0.490
EDJ-MED-12c115cc-2
0.489
EDJ-MED-12c115cc-1
0.489
FRA-DIA-0fa076fe-2
0.489
MAT-POS-bbbbc21a-2
0.489
MAT-POS-f7918075-2
0.489
PET-UNK-9b23ef84-7
0.486
MIC-UNK-54748b58-4
0.486
RAL-THA-05e671eb-17
0.485
ROB-UNI-322e8f70-3
0.480
MAT-POS-865c3497-1
0.480
ROB-UNI-7b37d95b-1
0.480
DAR-DIA-9f765dc6-6
0.480
MIC-UNK-91acba05-1
0.480
DAR-DIA-9f765dc6-2
0.480
DAR-DIA-9f765dc6-5
0.480
MAT-POS-22e8b45a-1
0.480
MAT-POS-865c3497-2
0.480
BEN-BAS-c2bc0d80-4
0.480
PET-UNK-022eab87-1
0.479
EDJ-MED-eb111c00-1
0.475
BEN-DND-a02b439d-15
0.475
BEN-DND-34fc7f90-8
0.475
ALP-POS-f1807566-1
0.475
MAT-POS-acfe5bae-6
0.475
MIC-UNK-91acba05-2
0.475
RYA-UNI-6d7114fd-1
0.474
ALP-POS-869ac754-1
0.474
RAL-THA-05e671eb-2
0.474
ALF-EVA-ced740bd-4
0.474
FRA-DIA-c7e803f4-1
0.473
FRA-DIA-0fa076fe-1
0.473
EDJ-MED-43f8f7d6-8
0.472
EDJ-MED-12c4873b-8
0.472
RAL-THA-8f106089-1
0.472
RAL-THA-8f106089-2
0.472
RAL-THA-05e671eb-9
0.470
BEN-DND-f2e727cd-6
0.470
MAT-POS-dd3ad2b5-1
0.470
MAR-UCB-6ab2ec87-6
0.469
RAL-THA-05e671eb-3
0.469
ALP-UNI-ba800595-1
0.469
BEN-DND-f2e727cd-5
0.469
MAT-POS-78e1d523-1
0.469