Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc(N2[Se]C3C=CC=CC3C2=O)cc1 |
MW: | 355.277 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 80.47 |
cLogP: | 0.8305 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
contains_metal
heavy metal
Any atoms except organogens, halogens, P, S, K, Na, Mg, Ca
Filter9_metal
Si,B,Se atoms
unacceptable atoms
Undesirable_Elements_Salts
AAR-POS-d2a4d1df-30
AMI-CSI-2339ae1c-2
0.636
AMI-CSI-2ea5bed6-2
0.636
AMI-CSI-2ea5bed6-4
0.632
AMI-CSI-2ea5bed6-10
0.615
AMI-CSI-2ea5bed6-12
0.613
AMI-CSI-2339ae1c-3
0.550
AMI-CSI-2ea5bed6-1
0.500
AMI-CSI-2ea5bed6-9
0.486
AMI-CSI-2339ae1c-1
0.484
AMI-CSI-2339ae1c-4
0.484
AMI-CSI-2ea5bed6-8
0.478
AMI-CSI-2ea5bed6-3
0.478
AMI-CSI-2ea5bed6-7
0.391
AMI-CSI-2ea5bed6-5
0.349
AMI-CSI-2ea5bed6-6
0.333
WAR-XCH-b72a1bbc-1
0.290
WAR-XCH-b6889685-54
0.290
WAR-XCH-b72a1bbc-14
0.288
WAR-XCH-b72a1bbc-9
0.288
WAR-XCH-b6889685-53
0.275
WAR-XCH-b72a1bbc-39
0.274
WAR-XCH-b72a1bbc-18
0.270
WAR-XCH-b72a1bbc-49
0.270
WAR-XCH-b72a1bbc-33
0.269
WAR-XCH-b72a1bbc-11
0.268
WAR-XCH-b72a1bbc-23
0.268
WAR-XCH-b6889685-23
0.268
WAR-XCH-b6889685-39
0.265
WAR-XCH-b72a1bbc-10
0.264
WAR-XCH-b72a1bbc-7
0.260
WAR-XCH-b72a1bbc-15
0.260
WAR-XCH-b6889685-20
0.260
WAR-XCH-b72a1bbc-21
0.260
WAR-XCH-b72a1bbc-42
0.259
WAR-XCH-b72a1bbc-5
0.257
WAR-XCH-b72a1bbc-6
0.257
WAR-XCH-b72a1bbc-12
0.257
WAR-XCH-b72a1bbc-16
0.257
WAR-XCH-b72a1bbc-48
0.257
WAR-XCH-b6889685-24
0.257
WAR-XCH-b72a1bbc-17
0.256
AAR-POS-d2a4d1df-15
0.255
WAR-XCH-b72a1bbc-20
0.253
WAR-XCH-b6889685-55
0.253
WAR-XCH-b72a1bbc-19
0.250
WAR-XCH-b6889685-29
0.250
WAR-XCH-b6889685-35
0.247
WAR-XCH-b72a1bbc-36
0.247
WAR-XCH-b72a1bbc-37
0.247
WAR-XCH-b6889685-58
0.247
WAR-XCH-b6889685-56
0.247
WAR-XCH-b6889685-26
0.244
WAR-XCH-b6889685-25
0.244
WAR-XCH-b6889685-57
0.244
MAT-POS-7dfc56d9-1
0.242
LIZ-THE-6efed59f-3
0.241
WAR-XCH-b6889685-61
0.241
WAR-XCH-b72a1bbc-40
0.241
WAR-XCH-b6889685-31
0.241
WAR-XCH-b6889685-33
0.241
WAR-XCH-b6889685-59
0.241
WAR-XCH-b72a1bbc-34
0.238
WAR-XCH-b72a1bbc-41
0.238
WAR-XCH-b72a1bbc-3
0.238
WAR-XCH-b6889685-10
0.238
WAR-XCH-b6889685-30
0.237
WAR-XCH-b6889685-32
0.237
WAR-XCH-b6889685-43
0.237
WAR-XCH-b6889685-62
0.237
WAR-XCH-b6889685-40
0.236
WAR-XCH-b6889685-64
0.235
WAR-XCH-b6889685-15
0.235
WAR-XCH-b72a1bbc-44
0.235
WAR-XCH-b6889685-36
0.233
WAR-XCH-b72a1bbc-46
0.233
WAR-XCH-b6889685-42
0.233
WAR-XCH-b72a1bbc-45
0.233
WAR-XCH-b6889685-19
0.232
WAR-XCH-b72a1bbc-43
0.232
WAR-XCH-b6889685-45
0.232
WAR-XCH-b6889685-46
0.232
WAR-XCH-b72a1bbc-38
0.230
JAR-IMP-ed466bb3-13
0.230
WAR-XCH-b72a1bbc-35
0.230
WAR-XCH-b6889685-5
0.229
WAR-XCH-b6889685-22
0.229
WAR-XCH-b6889685-27
0.229
WAR-XCH-b6889685-44
0.229
WAR-XCH-b6889685-47
0.229
WAR-XCH-b6889685-4
0.229
WAR-XCH-b72a1bbc-13
0.228
WAR-XCH-b6889685-11
0.227
WAR-XCH-b6889685-51
0.227
WAR-XCH-b6889685-41
0.227
WAR-XCH-b72a1bbc-8
0.226
WAR-XCH-b6889685-21
0.226
WAR-XCH-b6889685-48
0.226
WAR-XCH-b6889685-63
0.226
LIZ-THE-57c545eb-1
0.226
LIZ-THE-6efed59f-1
0.226