Molecular Properties | |
SMILES: | C=CS(=O)(=O)N1CCCC(c2cn(-c3ccc4nc[nH]c4c3)nn2)C1 |
MW: | 358.427 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 96.77 |
cLogP: | 1.7963 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated double bonds (3)
Filter10_Terminal_vinyl
Filter88_ene_sulfone
Hetero_hetero
LON-WEI-8f408cad-7
TOB-UNK-c2aba166-5
0.533
TOB-UNK-c2aba166-6
0.271
WAR-XCH-b72a1bbc-26
0.230
GAB-REV-70cc3ca5-5
0.211
GAB-REV-70cc3ca5-18
0.209
JOO-IND-b13e14cc-1
0.206
WAR-XCH-b72a1bbc-28
0.205
WAR-XCH-b72a1bbc-25
0.205
RED-RED-10c9212c-35
0.203
WAR-XCH-b72a1bbc-24
0.202
MAR-TRE-3159af1a-62
0.200
WAR-XCH-b72a1bbc-29
0.200
MAK-UNK-5e88aa6a-6
0.194
MAK-UNK-1cb0e944-1
0.194
MAR-TRE-04c86cea-35
0.193
MAR-TRE-3159af1a-80
0.191
WAR-XCH-b72a1bbc-32
0.191
MAR-TRE-799db12b-29
0.190
LON-WEI-b2874fec-6
0.190
ABI-SAT-a53b70f8-2
0.190
GAB-REV-4a4e2ff3-20
0.189
MAR-TRE-3159af1a-63
0.188
MAR-TRE-3159af1a-56
0.186
PEI-IMP-3d837503-3
0.185
ANT-OPE-b90194ad-1
0.185
ALP-POS-8ed8d9ec-12
0.185
MAR-TRE-3159af1a-79
0.183
RAF-POL-950dada1-23
0.182
MAR-TRE-c8530538-82
0.181
GAB-REV-4a4e2ff3-2
0.181
TAT-ENA-80bfd3e5-14
0.181
WAR-XCH-b72a1bbc-30
0.181
MAR-TRE-be9ff7d2-42
0.181
MAR-TRE-d0525fbf-54
0.180
WAR-XCH-b72a1bbc-31
0.179
DRA-CSI-7ec17797-18
0.179
JOO-IND-b13e14cc-3
0.179
ALP-POS-a3de0cb1-16
0.178
WAR-XCH-b72a1bbc-18
0.178
UNK-CYC-68f84b31-1
0.178
MAK-UNK-10799360-29
0.177
DRA-CSI-7ec17797-4
0.177
NIM-UNI-02269248-3
0.177
DRV-UNK-64047f27-3
0.176
DRV-UNK-dd7f8c68-3
0.176
MAR-TRE-3159af1a-10
0.176
WAR-XCH-b6889685-5
0.176
ABI-SAT-a53b70f8-1
0.175
WAR-XCH-b6889685-56
0.175
MAR-TRE-04c86cea-17
0.174
UNK-CYC-68f84b31-7
0.174
MAK-UNK-009ebe36-9
0.174
WAR-XCH-b6889685-23
0.173
SAD-SAT-1f400d17-2
0.173
WAR-XCH-b6889685-57
0.173
WAR-XCH-b6889685-26
0.173
MAR-TRE-3159af1a-92
0.172
MAR-TRE-f6f5f473-23
0.172
MAR-TRE-dab8f6ea-33
0.172
WIL-UNI-d4749f31-32
0.172
WAR-XCH-b6889685-6
0.171
SAD-SAT-cefd50cc-9
0.171
TOM-OIS-cbf37265-1
0.171
RAF-POL-9fce0577-4
0.170
RAF-POL-950dada1-24
0.170
MAR-TRE-2fd8122f-13
0.170
JOO-IND-b13e14cc-2
0.170
NIM-UNI-bb610069-3
0.169
NIM-UNI-594fbbb6-3
0.169
WAR-XCH-b72a1bbc-27
0.169
WAR-XCH-b72a1bbc-44
0.168
MAR-TRE-66ac689e-4
0.168
LON-WEI-b2874fec-13
0.168
MAR-TRE-2fd8122f-8
0.168
WIL-UNI-d4749f31-25
0.168
WAR-XCH-b6889685-58
0.167
MAR-TRE-3159af1a-54
0.167
MAR-TRE-3159af1a-26
0.167
MAR-TRE-04c86cea-46
0.167
MAK-UNK-9955b1f3-16
0.167
JAR-IMP-ed466bb3-15
0.165
MAR-TRE-3159af1a-78
0.165
LON-WEI-b2874fec-3
0.165
WAR-XCH-b6889685-8
0.165
MAR-TRE-799db12b-57
0.165
WAR-XCH-b6889685-27
0.165
MAR-TRE-3159af1a-87
0.165
WAR-XCH-b6889685-4
0.165
RAF-POL-950dada1-20
0.165
SAD-SAT-2fd372d1-6
0.165
VLA-UNK-c3e99b7a-8
0.164
MAR-TRE-9c797165-73
0.164
UNK-CYC-68f84b31-63
0.164
MAR-TRE-fffca54f-89
0.164
SAD-SAT-2ceae68f-7
0.164
WAR-XCH-b72a1bbc-8
0.164
IND-SYN-6c8299e8-1
0.164
AHN-SAT-02ef6d10-5
0.163
MAR-TRE-3159af1a-50
0.162
WAR-XCH-b72a1bbc-41
0.162