Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2ccc(N3[Se]C4C=CC=CC4C3=O)cc2c1 |
MW: | 405.337 |
Fraction sp3: | 0.12 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 80.47 |
cLogP: | 1.9837 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
contains_metal
heavy metal
β-Aminonaphtalenes
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-2ea5bed6-8
0.618
AMI-CSI-2ea5bed6-11
0.615
AMI-CSI-2ea5bed6-12
0.609
AMI-CSI-2339ae1c-3
0.529
AMI-CSI-2ea5bed6-9
0.494
AMI-CSI-2339ae1c-4
0.472
AMI-CSI-2339ae1c-1
0.472
AMI-CSI-2ea5bed6-3
0.467
AMI-CSI-2ea5bed6-4
0.465
AMI-CSI-2339ae1c-2
0.464
AMI-CSI-2ea5bed6-2
0.464
AMI-CSI-2ea5bed6-1
0.443
AMI-CSI-2ea5bed6-7
0.354
JAN-GHE-1d98ec1c-1
0.302
AMI-CSI-2ea5bed6-5
0.297
NIR-THE-0d6461ce-5
0.293
PET-SGC-85e821e4-1
0.293
MIH-UNI-6b9ca91a-9
0.290
AMI-CSI-2ea5bed6-6
0.286
NIR-THE-0d6461ce-4
0.280
MAK-UNK-ec98eaf6-36
0.278
MAK-UNK-ec98eaf6-35
0.278
NIR-THE-c331be7a-5
0.267
TAM-UNI-d1c3dd9f-3
0.267
MIH-UNI-e573136b-12
0.267
SAD-SAT-f25ee457-8
0.267
NIM-UNI-b87c0f72-3
0.239
NIM-UNI-b87c0f72-4
0.239
SEL-UNI-cd366922-7
0.223
SIM-DEM-5935bd74-2
0.221
SIM-DEM-5935bd74-4
0.216
IND-SYN-8f867502-1
0.214
MAK-UNK-69bf97dd-4
0.214
DAR-DIA-3e9bbd81-10
0.212
WAR-XCH-b6889685-39
0.208
MAK-UNK-bae89c02-3
0.206
AAR-POS-d2a4d1df-4
0.205
WAR-XCH-b6889685-54
0.205
IND-SYN-8f867502-2
0.205
MAK-UNK-0b1cbb06-5
0.205
SIM-DEM-5935bd74-7
0.205
MAK-UNK-0b1cbb06-4
0.202
WAR-XCH-b6889685-23
0.202
IND-SYN-058869ff-1
0.202
IND-SYN-8f867502-3
0.202
MAK-UNK-10799360-17
0.202
STE-NAN-bafe64f0-1
0.202
WAR-XCH-b72a1bbc-9
0.200
WAR-XCH-b72a1bbc-14
0.200
WAR-XCH-b72a1bbc-22
0.198
ASH-SAT-43770c7d-2
0.198
TRY-UNI-1fd04853-4
0.198
JAN-GHE-1d98ec1c-5
0.198
NAU-LAT-42d4957e-3
0.198
GER-UNI-05c7e912-1
0.198
WAR-XCH-b72a1bbc-1
0.197
WAR-XCH-b6889685-36
0.196
WAR-XCH-b72a1bbc-33
0.196
SAD-SAT-5b1897b2-7
0.195
WAR-XCH-b72a1bbc-5
0.195
MAR-TRE-6a44bbf2-33
0.195
WAR-XCH-b72a1bbc-39
0.195
AAR-POS-d2a4d1df-15
0.194
HEI-REL-0c990a45-1
0.194
HAR-NEW-e34cb1ae-6
0.194
HEI-REL-0c990a45-3
0.194
MAK-UNK-0b1cbb06-3
0.193
WAR-XCH-b72a1bbc-18
0.193
WAR-XCH-b72a1bbc-49
0.193
WAR-XCH-b6889685-53
0.193
DAR-DIA-3e9bbd81-9
0.193
HEI-REL-0c990a45-6
0.193
LIZ-THE-d3ff4653-1
0.192
STU-CHA-91df9a40-1
0.192
PET-SGC-908c18f3-1
0.192
MIH-UNI-e573136b-4
0.192
WAR-XCH-b72a1bbc-36
0.191
WAR-XCH-b6889685-58
0.191
WAR-XCH-b6889685-34
0.190
LOR-NEU-c8f11034-6
0.190
DUN-NEW-f8ce3686-14
0.189
WAR-XCH-b72a1bbc-42
0.189
NAU-LAT-42d4957e-6
0.189
MAT-POS-b5746674-77
0.189
MAT-POS-7dfc56d9-1
0.189
WAR-XCH-b72a1bbc-23
0.188
WAR-XCH-b72a1bbc-11
0.188
DAR-DIA-fb20be43-12
0.188
DAR-DIA-fb20be43-9
0.188
PET-SGC-abcbce68-1
0.188
WAR-XCH-b6889685-21
0.188
WAR-XCH-b72a1bbc-21
0.187
KEI-UNI-85a52787-2
0.186
WAR-XCH-b72a1bbc-10
0.186
LIZ-THE-6efed59f-3
0.186
PET-SGC-481b48b7-1
0.186
WAR-XCH-b72a1bbc-34
0.186
PET-SGC-85e821e4-2
0.185
SIM-DEM-5935bd74-1
0.185
WAR-XCH-b72a1bbc-17
0.185