Molecular Properties | |
SMILES: | NS(=O)(=O)C1=CC2C(C=C1)CCCN2CN1CCC(=O)CC1 |
MW: | 325.434 |
Fraction sp3: | 0.67 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 83.71 |
cLogP: | 0.4316 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
non_ring_CH2O_acetal
Methylendiamines (1)
Activated double bonds (3)
Ketones
Filter88_ene_sulfone
acyclic N-C-N
Ketone
CAM-WAB-d3b4be56-1
0.592
SIM-DEM-5935bd74-5
0.349
SIM-DEM-5935bd74-6
0.337
SIM-DEM-5935bd74-8
0.241
CON-WAB-e9a28e0b-1
0.211
CON-WAB-e9a28e0b-2
0.207
DAV-CRI-14a23e73-5
0.198
DAV-CRI-14a23e73-6
0.198
STU-CHA-83dacf15-1
0.198
STU-CHA-83dacf15-2
0.196
STU-CHA-09bcc2f6-1
0.196
WAR-XCH-b72a1bbc-20
0.195
WAR-XCH-b72a1bbc-19
0.193
WAR-XCH-b6889685-54
0.193
STU-CHA-83dacf15-3
0.190
STU-CHA-814c6126-1
0.190
MAK-UNK-90d0606b-6
0.189
FEL-WAB-fb168420-1
0.187
SAD-SAT-89668ff1-6
0.186
MAK-UNK-10799360-7
0.185
BEN-DND-03ad4429-1
0.185
BEN-DND-03ad4429-2
0.184
MAR-TRE-2fd8122f-13
0.184
WAR-XCH-b6889685-55
0.182
HAR-NEW-e34cb1ae-2
0.181
MAK-UNK-10799360-9
0.179
MAK-UNK-1cb0e944-5
0.177
MAK-UNK-5e88aa6a-10
0.177
CON-WAB-0566ad60-1
0.177
MAK-UNK-0b1cbb06-4
0.176
WAR-XCH-b72a1bbc-23
0.176
WAR-XCH-b72a1bbc-28
0.176
WAR-XCH-b72a1bbc-21
0.176
TRY-UNI-1fd04853-4
0.175
MAR-TRE-3e4e6814-96
0.175
BEN-DND-03ad4429-5
0.175
BEN-DND-03ad4429-6
0.174
WAR-XCH-b72a1bbc-32
0.173
WAR-XCH-b72a1bbc-30
0.173
JOK-SYG-6ec557d2-1
0.173
WAR-XCH-b72a1bbc-24
0.173
WAR-XCH-b72a1bbc-14
0.173
MAR-TRE-d0525fbf-54
0.173
BEN-VAN-5787f7d3-2
0.172
WAR-XCH-b6889685-43
0.172
WAR-XCH-b72a1bbc-33
0.172
HEI-REL-0c990a45-1
0.172
WAR-XCH-b72a1bbc-31
0.171
WAR-XCH-b72a1bbc-29
0.171
SAD-SAT-5b1897b2-7
0.170
MAR-TRE-6a44bbf2-33
0.170
WAR-XCH-b6889685-24
0.170
MAK-UNK-9955b1f3-15
0.170
WAR-XCH-b72a1bbc-44
0.170
PET-SGC-908c18f3-1
0.170
WAR-XCH-b6889685-14
0.170
WAR-XCH-b72a1bbc-26
0.170
MAK-UNK-704ed37c-16
0.169
WAR-XCH-b72a1bbc-49
0.169
WAR-XCH-b72a1bbc-18
0.169
WAR-XCH-b72a1bbc-43
0.168
WAR-XCH-b6889685-13
0.168
MAR-TRE-04c86cea-46
0.168
DAV-CRI-de95a6f4-1
0.168
SAD-SAT-bc31ec01-8
0.167
MAK-UNK-1cb0e944-6
0.167
WAR-XCH-b72a1bbc-25
0.167
MAR-TRE-3e4e6814-23
0.167
MAK-UNK-5e88aa6a-8
0.167
NAU-LAT-64f4b287-10
0.167
UNK-CYC-68f84b31-7
0.165
MAR-TRE-04c86cea-17
0.165
HAR-NEW-e34cb1ae-8
0.165
MAK-UNK-1cb0e944-4
0.164
MAK-UNK-5e88aa6a-7
0.164
DRV-UNK-64047f27-4
0.164
DRV-UNK-dd7f8c68-5
0.164
MAR-TRE-04c86cea-35
0.163
MAR-TRE-f6f5f473-23
0.163
WAR-XCH-b6889685-10
0.163
PET-SGC-481b48b7-1
0.163
WAR-XCH-b6889685-23
0.163
WAR-XCH-b72a1bbc-11
0.163
MAK-UNK-af83ef51-15
0.162
MAR-TRE-4b834d9a-65
0.162
MAR-TRE-04c86cea-49
0.162
MAR-TRE-74c6519b-24
0.162
TAM-UNI-c140e31a-13
0.162
WAR-XCH-b72a1bbc-47
0.162
HEI-REL-0c990a45-2
0.162
MAK-UNK-1cb0e944-12
0.162
SAD-SAT-581007d4-3
0.161
WAR-XCH-b72a1bbc-10
0.161
MAK-UNK-987948f6-1
0.161
WAR-XCH-b72a1bbc-27
0.161
WAR-XCH-b72a1bbc-45
0.160
MAK-UNK-1cb0e944-13
0.160
HEI-REL-0c990a45-3
0.160
WAR-XCH-b6889685-42
0.160
MAK-UNK-1cb0e944-3
0.160