Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CS(=O)(=O)Cc2cc(F)c(Cl)cc21 |
MW: | 404.04 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 76.13 |
cLogP: | 3.68 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
PET-UNK-1b92fa34-4
0.756
PET-UNK-1b92fa34-1
0.690
PET-UNK-9b23ef84-3
0.617
MAT-POS-64942dd0-3
0.588
EDJ-MED-cf877e1d-1
0.570
RAL-THA-05e671eb-10
0.558
MAT-POS-a13804f0-2
0.558
MAT-POS-a13804f0-3
0.558
ALP-POS-fe871b40-9
0.558
ALP-UNI-ba800595-2
0.558
ALP-POS-d91e0300-1
0.558
ALP-POS-fe871b40-10
0.558
PET-UNK-9b23ef84-7
0.538
PET-UNK-9b23ef84-10
0.538
PET-UNK-9b23ef84-15
0.538
PET-UNK-022eab87-1
0.538
PET-UNK-1b92fa34-2
0.536
ALP-POS-fe871b40-15
0.536
PET-UNK-1e13ef09-1
0.525
PET-UNK-c0891748-10
0.515
PET-UNK-c0891748-4
0.515
ROB-UNI-322e8f70-2
0.515
ALP-UNI-3735e77e-3
0.515
RAL-THA-05e671eb-11
0.515
ALF-EVA-b701bd13-4
0.511
MIC-UNK-8758c41d-1
0.510
EDJ-MED-015fb6b4-3
0.510
MIC-UNK-54748b58-4
0.509
PET-UNK-1b92fa34-7
0.505
BEN-DND-a02b439d-15
0.500
BEN-DND-a02b439d-14
0.500
BEN-DND-34fc7f90-8
0.500
PET-UNK-1e13ef09-5
0.500
PET-UNK-1e13ef09-6
0.490
MAT-POS-dd3ad2b5-2
0.485
PET-UNK-9b23ef84-2
0.485
VLA-UNK-9a7dc93f-3
0.485
MAT-POS-f7918075-2
0.484
FRA-DIA-0fa076fe-2
0.484
MAT-POS-bbbbc21a-2
0.484
EDJ-MED-12c115cc-2
0.484
EDJ-MED-12c115cc-1
0.484
BEN-DND-f2e727cd-6
0.480
MAT-POS-dd3ad2b5-1
0.480
MIC-UNK-91acba05-3
0.480
LUO-POS-868e8996-14
0.480
ALP-POS-477dc5b7-1
0.480
MAT-POS-66a736cf-1
0.480
BEN-DND-f2e727cd-5
0.480
MAT-POS-3ccb8ef6-1
0.480
MIC-UNK-91acba05-4
0.480
ALP-UNI-c3ef0aba-2
0.480
BEN-DND-f2e727cd-4
0.480
MAT-POS-78e1d523-6
0.480
ALP-UNI-ba800595-1
0.480
MIC-UNK-8758c41d-2
0.480
ALP-UNI-3735e77e-4
0.480
MAT-POS-78e1d523-5
0.480
MAT-POS-f9802937-8
0.480
MAT-POS-f9802937-9
0.480
MAT-POS-3ccb8ef6-2
0.480
LUO-POS-868e8996-13
0.480
MAT-POS-d8472c4f-5
0.480
ALF-EVA-b701bd13-3
0.475
MAR-UCB-6ab2ec87-1
0.474
BEN-DND-a02b439d-1
0.471
VLA-UNK-8e76d113-1
0.471
PET-UNK-c0891748-6
0.470
PET-UNK-c0891748-12
0.470
ALP-POS-a577c8a2-1
0.470
EDJ-MED-e18764cb-2
0.470
MAT-POS-af1eef35-3
0.470
BEN-DND-d6f8d3c6-1
0.470
ALF-EVA-82cf4849-1
0.470
ALP-POS-869ac754-1
0.469
RAL-THA-05e671eb-2
0.469
RYA-UNI-6d7114fd-1
0.469
ALF-EVA-ced740bd-4
0.469
FRA-DIA-c7e803f4-1
0.468
FRA-DIA-0fa076fe-1
0.468
MIC-UNK-482af05e-2
0.467
PET-UNK-1e13ef09-2
0.467
ALP-POS-e6e0c683-4
0.467
RAL-THA-05e671eb-17
0.465
DAR-DIA-9f765dc6-1
0.465
DAR-DIA-9f765dc6-3
0.465
ALF-EVA-b701bd13-6
0.465
DAR-DIA-9f765dc6-4
0.465
MAR-UCB-6ab2ec87-6
0.465
MAT-POS-78e1d523-1
0.465
ALP-UNI-c3ef0aba-1
0.464
BEN-DND-a02b439d-2
0.462
RAL-THA-c11c1343-1
0.461
MAK-UNK-8be7dca9-10
0.461
ALP-POS-966f8da6-2
0.461
EDG-MED-5d232de5-3
0.461
EDG-MED-5d232de5-4
0.461
ALP-POS-a577c8a2-2
0.461
ALF-EVA-82cf4849-5
0.461
MIC-UNK-8758c41d-3
0.460