Molecular Properties | |
SMILES: | C[C@H]1c2ccc([S@@](C)(=N)=O)cc2N(C2CCOCC2)CC1(F)F |
MW: | 344.427 |
Fraction sp3: | 0.62 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 53.39 |
cLogP: | 3.45987 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Double acyclic N=N and N=S bonds
Filter90_N_double_bond_S
S=N_(not_ring)
DAV-AUT-fa25ac7f-1
0.597
DAV-AUT-fa25ac7f-5
0.560
DAV-AUT-fa25ac7f-3
0.541
DAV-AUT-fa25ac7f-2
0.494
MIK-CHE-f7b1aeed-1
0.244
JUL-TUD-06b2044f-68
0.211
WAR-XCH-b72a1bbc-18
0.209
AHN-SAT-de2502ba-9
0.209
STE-NAN-bafe64f0-3
0.207
IND-SYN-8f867502-2
0.207
HAN-UNI-e165996f-1
0.204
STE-NAN-bafe64f0-1
0.204
JOH-IMS-7e73aedd-10
0.200
JOH-IMS-0f19a540-4
0.200
SAD-SAT-9a6c5cf3-1
0.200
WAR-XCH-b72a1bbc-7
0.200
ANO-UNK-b6bccdab-1
0.198
NIM-UNI-310206f0-70
0.198
AHN-SAT-de2502ba-16
0.198
WAR-XCH-b72a1bbc-12
0.198
AAR-POS-f650c5f2-1
0.197
AAR-POS-5507155c-1
0.197
RIT-HTT-61afd604-1
0.194
MAK-UNK-0b1cbb06-1
0.194
MAK-UNK-5d2caa6f-5
0.194
AHN-SAT-de2502ba-13
0.194
MAR-TRE-6a44bbf2-83
0.194
TAT-ENA-80bfd3e5-50
0.193
MAK-UNK-3f402c2b-2
0.191
WAR-XCH-b6889685-22
0.191
WAR-XCH-b6889685-44
0.191
DUN-NEW-f8ce3686-1
0.191
ARI-TAT-5792557e-22
0.190
WAR-XCH-b72a1bbc-11
0.190
WAR-XCH-b6889685-23
0.190
PET-SGC-481b48b7-2
0.189
WAR-XCH-b6889685-21
0.189
ASH-UNK-40b46b30-2
0.189
WAR-XCH-b72a1bbc-10
0.188
NAU-LAT-e1818702-5
0.188
MAR-TRE-fd17a9b8-8
0.188
WAR-XCH-b72a1bbc-9
0.188
MAR-TRE-f5c2d31c-25
0.186
DRV-UNK-64047f27-8
0.186
DRV-UNK-dd7f8c68-1
0.186
MAK-UNK-10799360-10
0.186
WAR-XCH-b6889685-1
0.186
BAR-COM-0f94fc3d-2
0.184
MAK-UNK-3e0761f8-4
0.184
RIT-AID-8d6141ff-1
0.184
WAR-XCH-b72a1bbc-5
0.184
WAR-XCH-b72a1bbc-6
0.184
WAR-XCH-b72a1bbc-16
0.184
NIM-UNI-310206f0-9
0.184
DRV-UNK-64047f27-7
0.183
DRV-UNK-dd7f8c68-8
0.183
HEI-REL-0c990a45-6
0.183
AHN-SAT-de2502ba-4
0.183
MAR-TRE-6a44bbf2-100
0.183
WAR-XCH-b72a1bbc-13
0.183
KAT-FAI-9b65c29e-2
0.182
MAR-TRE-92684b97-43
0.182
NIM-UNI-310206f0-25
0.182
MAK-UNK-ec98eaf6-3
0.182
WAR-XCH-b6889685-55
0.182
LON-WEI-b2874fec-13
0.182
MAR-TRE-f5c2d31c-8
0.181
MAR-TRE-fd17a9b8-2
0.181
WAR-XCH-b6889685-60
0.181
WAR-XCH-b72a1bbc-37
0.181
WAR-XCH-b6889685-58
0.181
WAR-XCH-b6889685-53
0.181
MAR-TRE-8190bb11-100
0.180
WAR-XCH-b6889685-41
0.180
SAD-SAT-f25ee457-2
0.179
MAK-UNK-69bf97dd-5
0.179
WAR-XCH-b6889685-27
0.179
WAR-XCH-b6889685-54
0.179
JOK-SYG-ac99ed27-1
0.178
WAR-XCH-b6889685-8
0.178
MAR-TRE-f5c2d31c-34
0.178
PEI-IMP-e4a008a2-1
0.178
DRV-UNK-dd7f8c68-2
0.178
WAR-XCH-b6889685-52
0.178
DRV-UNK-64047f27-2
0.178
EDG-MED-b8f93667-6
0.177
MAR-TRE-6a44bbf2-62
0.177
MAR-TRE-6a44bbf2-63
0.177
WAR-XCH-b6889685-63
0.177
IND-SYN-8f867502-3
0.176
IND-SYN-058869ff-1
0.176
ANT-DIA-b7f58f21-9
0.176
JUL-TUD-06b2044f-66
0.176
JON-UIO-066ce08b-5
0.176
WAR-XCH-b72a1bbc-23
0.176
MAT-POS-bfefc3ea-1
0.176
AAR-POS-dddeddbf-5
0.176
JAG-UCB-c61058a9-25
0.176
DRV-UNK-64047f27-5
0.176
DRV-UNK-dd7f8c68-4
0.176