Molecular Properties | |
SMILES: | O=C1CC(C(=O)Nc2cncc3ccccc23)c2cc(Cl)c(F)c(F)c2N1 |
MW: | 387.06 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 71.09 |
cLogP: | 4.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
halogenated ring
MAT-POS-f39f51fd-1
0.702
VLA-UNK-56836b69-1
0.663
MIC-UNK-8758c41d-3
0.663
ALP-POS-fe871b40-16
0.663
ALP-POS-fe871b40-15
0.659
ALP-POS-fe871b40-13
0.644
ALP-POS-fe871b40-14
0.611
EDJ-MED-a6bd50ad-1
0.607
MIC-UNK-45817b9b-1
0.607
MAT-POS-43c25e9b-1
0.607
MAT-POS-43c25e9b-2
0.607
MAT-POS-8d5af1ef-1
0.589
ALF-EVA-b701bd13-6
0.576
VLA-UNK-8e76d113-1
0.562
FRA-DIA-0fa076fe-2
0.533
PET-UNK-c0891748-12
0.532
PET-UNK-c0891748-6
0.532
ALF-EVA-b701bd13-4
0.527
FRA-DIA-0fa076fe-1
0.517
FRA-DIA-c7e803f4-1
0.517
RAL-THA-05e671eb-21
0.516
BEN-DND-a02b439d-14
0.516
ALF-EVA-82cf4849-2
0.515
ALP-POS-869ac754-2
0.511
ALP-UNI-3735e77e-4
0.511
MAT-POS-f9802937-9
0.511
MAT-POS-78e1d523-6
0.511
MIC-UNK-8758c41d-2
0.511
MAT-POS-f9802937-8
0.511
MAT-POS-78e1d523-5
0.511
RAL-THA-05e671eb-10
0.510
ALP-POS-fe871b40-9
0.510
ALP-UNI-ba800595-2
0.510
MAT-POS-a13804f0-3
0.510
ALP-POS-fe871b40-10
0.510
MAT-POS-a13804f0-2
0.510
ALP-POS-d91e0300-1
0.510
ALP-UNI-3735e77e-2
0.505
RAL-THA-05e671eb-16
0.505
ALF-EVA-b701bd13-3
0.505
RAL-THA-05e671eb-11
0.500
EDJ-MED-12c115cc-2
0.500
ALF-EVA-82cf4849-1
0.500
ALF-EVA-b701bd13-5
0.500
FRA-DIA-b66f7109-2
0.500
EDJ-MED-12c115cc-1
0.500
ALF-EVA-ced740bd-4
0.500
MAT-POS-bbbbc21a-2
0.500
ALP-UNI-3735e77e-3
0.500
VLA-UNK-8e76d113-2
0.500
MAT-POS-f7918075-2
0.500
MAT-POS-2e8b2191-3
0.500
RYA-UNI-6d7114fd-1
0.500
ALP-POS-869ac754-1
0.500
RAL-THA-05e671eb-2
0.500
RAL-THA-05e671eb-28
0.500
FRA-DIA-b66f7109-3
0.495
DAR-DIA-9f765dc6-3
0.495
MIC-UNK-45817b9b-2
0.495
DAR-DIA-9f765dc6-1
0.495
DAR-DIA-9f765dc6-4
0.495
RAL-THA-05e671eb-17
0.495
MAT-POS-3ccb8ef6-2
0.495
RAL-THA-05e671eb-25
0.495
ALP-UNI-ba800595-1
0.495
BEN-DND-f2e727cd-5
0.495
PET-UNK-c0891748-8
0.495
PET-UNK-c0891748-2
0.495
MAT-POS-d8472c4f-5
0.495
EDJ-MED-12f7f543-1
0.495
ALP-POS-fe871b40-5
0.495
MAT-POS-3ccb8ef6-1
0.495
PET-UNK-9b23ef84-3
0.490
ALF-EVA-82cf4849-5
0.490
DAR-DIA-9f765dc6-2
0.490
DAR-DIA-9f765dc6-5
0.490
DAR-DIA-9f765dc6-6
0.490
BEN-BAS-c2bc0d80-4
0.490
BEN-BAS-c2bc0d80-1
0.489
FRA-DIA-b66f7109-1
0.485
FRA-DIA-b66f7109-4
0.485
PET-UNK-1b92fa34-3
0.485
VLA-UNK-9a7dc93f-4
0.485
BEN-DND-34fc7f90-8
0.485
BEN-DND-a02b439d-15
0.485
RAL-THA-05e671eb-22
0.484
DAR-DIA-0587064e-27
0.482
ALF-EVA-07677224-3
0.481
MAT-POS-64942dd0-3
0.480
PET-UNK-d61f3ea6-2
0.480
RAL-THA-05e671eb-20
0.480
ALP-POS-fe871b40-1
0.480
RAL-THA-05e671eb-9
0.480
BEN-BAS-c2bc0d80-5
0.480
BEN-DND-f2e727cd-6
0.480
MAT-POS-dd3ad2b5-1
0.480
MAR-UCB-6ab2ec87-6
0.479
ALP-POS-477dc5b7-1
0.479
RAL-THA-05e671eb-13
0.479
MIC-UNK-91acba05-4
0.479