Molecular Properties | |
SMILES: | CC1COC(c2ccc([S@](C)(=N)=O)cc2)CN(C)C1=O |
MW: | 296.392 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 70.46 |
cLogP: | 1.88787 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Double acyclic N=N and N=S bonds
Filter90_N_double_bond_S
S=N_(not_ring)
AAR-POS-d2a4d1df-5
DAV-AUT-fa25ac7f-4
0.244
DAV-AUT-fa25ac7f-3
0.230
MAT-POS-ea426761-106
0.213
DAV-AUT-7eb4e0c3-2
0.211
DAV-AUT-7eb4e0c3-4
0.211
MAR-TRE-6a44bbf2-39
0.210
AAR-POS-d2a4d1df-33
0.210
JOK-SYG-8934678c-1
0.209
DAV-AUT-fa25ac7f-5
0.209
MAK-UNK-3f402c2b-5
0.205
LOR-NEU-c8f11034-8
0.200
IND-SYN-6c8299e8-12
0.198
MAK-UNK-1cb0e944-8
0.198
MAK-UNK-0b1cbb06-5
0.195
SIM-DEM-5935bd74-7
0.195
IND-SYN-8f867502-2
0.195
WAR-XCH-79d12f6e-4
0.193
MAK-UNK-3f402c2b-17
0.191
SAD-SAT-b55127ae-5
0.188
DAV-AUT-fa25ac7f-1
0.187
MAK-UNK-3f402c2b-24
0.186
MAR-TRE-e86a56b5-21
0.185
WAR-XCH-b72a1bbc-16
0.185
NIM-UNI-43fe0159-10
0.184
MAK-UNK-df1a028e-7
0.184
AAR-POS-f650c5f2-1
0.183
AAR-POS-5507155c-1
0.183
WAR-XCH-b72a1bbc-18
0.183
MAK-UNK-c74072e5-8
0.183
NIM-UNI-43fe0159-12
0.182
DAV-AUT-fa25ac7f-2
0.181
MAK-UNK-3f402c2b-2
0.180
MAK-UNK-3f402c2b-12
0.180
MAK-UNK-df1a028e-5
0.180
MAR-TRE-fd17a9b8-100
0.180
WAR-XCH-b6889685-54
0.179
WAR-XCH-b6889685-56
0.179
NAU-LAT-f723e322-4
0.179
MAK-UNK-3f402c2b-15
0.179
PEI-IMP-e4a008a2-1
0.179
MAR-TRE-dab8f6ea-49
0.178
MAR-TRE-6a44bbf2-62
0.178
WAR-XCH-b6889685-23
0.177
JUL-TUD-06b2044f-123
0.177
WAR-XCH-b6889685-25
0.176
MAT-POS-b5746674-57
0.176
DRV-UNK-dd7f8c68-1
0.175
DRV-UNK-64047f27-8
0.175
MAK-UNK-bdda130a-4
0.175
AAR-POS-d2a4d1df-27
0.175
PEI-IMP-3d837503-5
0.175
IND-SYN-8f867502-1
0.175
MAR-TRE-6a44bbf2-68
0.175
NIM-UNI-43fe0159-3
0.175
MAR-LAB-efb042c5-5
0.175
WAR-XCH-b72a1bbc-24
0.173
SAD-SAT-9a6c5cf3-7
0.173
WAR-XCH-b72a1bbc-9
0.173
WAR-XCH-b72a1bbc-7
0.173
WAR-XCH-b72a1bbc-15
0.173
WAR-XCH-b6889685-30
0.172
AUS-ARG-7cfdce8f-2
0.172
MAK-UNK-90d0606b-3
0.172
LON-WEI-1908424e-4
0.171
MAK-UNK-acefcb18-11
0.171
WAR-XCH-b6889685-24
0.171
WAR-XCH-b72a1bbc-6
0.171
WAR-XCH-b6889685-15
0.170
BEN-VAN-77cef4f8-4
0.169
WAR-XCH-b6889685-55
0.169
NIM-UNI-43fe0159-2
0.169
GIA-UNK-595fac82-4
0.169
DRR-IMP-dff87f5e-9
0.169
WAR-XCH-b6889685-46
0.169
WAR-XCH-b6889685-45
0.169
WAR-XCH-b6889685-51
0.168
MAK-UNK-bdda130a-2
0.168
MAK-UNK-bdda130a-3
0.167
WAR-XCH-b6889685-53
0.167
JAR-KUA-41bd5a3d-9
0.167
EDJ-MED-7d88f880-2
0.167
DRV-UNK-64047f27-2
0.167
DRV-UNK-dd7f8c68-2
0.167
JAN-GHE-4287bd1a-1
0.167
WAR-XCH-b6889685-44
0.167
WAR-XCH-b6889685-47
0.167
MAR-TRE-f5c2d31c-34
0.167
MAR-TRE-fd17a9b8-47
0.167
EDJ-MED-7d88f880-3
0.165
BEN-VAN-77cef4f8-1
0.165
DAV-UNK-d94803a2-4
0.165
MAR-TRE-fffca54f-19
0.165
AAR-POS-0daf6b7e-3
0.165
RHE-UNK-eb059eb9-1
0.165
MAR-TRE-6a44bbf2-13
0.165
SAD-SAT-f0a2747f-9
0.165
WAR-XCH-79d12f6e-6
0.165
NIM-UNI-43fe0159-7
0.165
NIM-UNI-43fe0159-9
0.165
MAK-UNK-3f402c2b-10
0.165