Molecular Properties | |
SMILES: | NS(=O)(=O)c1cc2c(cc1Cl)NC(C(Cl)Cl)NS2(=O)=O |
MW: | 378.9 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 118.36 |
cLogP: | 0.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5170594512 |
MolPort: | MolPort-003-666-298 |
secondary_halide_sulfate
Activated haloaromatics
Filter1_2_halo_ether
Filter84_nitrogen_mustard
Alkyl Halide
MAR-TRE-fffca54f-38
0.420
MAR-TRE-fffca54f-91
0.338
ALB-THE-e2bfce8e-1
0.253
MAR-TRE-fffca54f-97
0.233
JON-UIO-066ce08b-5
0.200
MAR-TRE-fffca54f-16
0.198
DAV-CRI-de95a6f4-2
0.188
JAR-KUA-41bd5a3d-13
0.178
MAR-TRE-67513f76-65
0.176
DAV-CRI-de95a6f4-1
0.174
STU-CHA-814c6126-1
0.173
JON-UIO-82a15e73-5
0.171
MAK-UNK-752736de-3
0.171
HAR-NEW-e34cb1ae-8
0.170
WAR-XCH-b6889685-23
0.169
JON-UIO-82a15e73-7
0.169
MED-UNK-7e7dab56-9
0.169
WIL-UNI-1faa9b10-25
0.169
DRV-UNK-dd7f8c68-1
0.168
DRV-UNK-64047f27-8
0.168
DRV-UNK-dd7f8c68-5
0.168
DRV-UNK-64047f27-4
0.168
HEN-UNK-30ca0e4e-1
0.168
IND-SYN-8f867502-1
0.167
WIL-NOV-066c4001-1
0.167
JON-UIO-066ce08b-13
0.167
STU-CHA-09bcc2f6-1
0.167
MAK-UNK-0d6072ac-18
0.167
ABI-SAT-27442b71-2
0.167
WAR-XCH-b72a1bbc-46
0.165
MAR-TRE-3159af1a-39
0.165
BEN-DND-362d364a-9
0.165
WAR-XCH-b6889685-49
0.163
MAR-TRE-3159af1a-48
0.163
MAK-UNK-0d6072ac-33
0.163
WAR-XCH-b72a1bbc-6
0.163
MED-UNK-7e7dab56-3
0.161
DRV-UNK-dd7f8c68-2
0.160
DRV-UNK-64047f27-2
0.160
PED-UNI-89deb5c9-1
0.160
PET-UNK-09a29654-1
0.159
HAN-UNI-e165996f-1
0.159
WIL-UNI-1faa9b10-10
0.159
WIL-UNI-1faa9b10-33
0.159
WIL-UNI-1faa9b10-42
0.159
MAR-TRE-3159af1a-87
0.159
JON-UIO-82a15e73-4
0.159
MAR-TRE-fffca54f-88
0.159
DRV-UNK-64047f27-5
0.158
DRV-UNK-dd7f8c68-4
0.158
MAT-POS-590ac91e-68
0.158
WIL-UNI-1faa9b10-49
0.158
MAR-TRE-c317dd82-79
0.158
DAV-CRI-f9b12666-5
0.157
DAV-CRI-f9b12666-7
0.157
RIT-RIT-fdc869b4-1
0.157
EDJ-MED-93390d0c-2
0.157
PET-UNK-7bb24635-4
0.157
EDJ-MED-f073a5ff-1
0.157
WIL-UNI-1faa9b10-22
0.157
ALP-POS-95b75b4d-7
0.157
WAR-XCH-b6889685-48
0.157
DRV-UNK-dd7f8c68-6
0.157
DRV-UNK-64047f27-1
0.157
MED-UNK-7e7dab56-6
0.157
CHR-UNK-b46452fc-1
0.156
CHR-UNK-e061132b-1
0.156
MAK-UNK-230cdef2-3
0.156
PET-UNK-7bb24635-6
0.156
IND-SYN-8f867502-2
0.156
SAD-SAT-1b030f84-3
0.156
MAR-TRE-3159af1a-50
0.156
DRV-UNK-64047f27-7
0.155
DRV-UNK-dd7f8c68-8
0.155
MAR-TRE-87acfbcc-44
0.155
WIL-UNI-1faa9b10-27
0.155
MAR-TRE-a9136c7b-40
0.155
JON-UIO-82a15e73-6
0.155
MAT-POS-90fd5f68-11
0.155
SAD-SAT-f2e2579e-5
0.154
HEI-REL-0c990a45-2
0.154
EDG-MED-f9979214-1
0.153
MAR-TRE-423310b6-30
0.153
LOR-NEU-c8f11034-6
0.153
JAR-KUA-41bd5a3d-16
0.152
HAR-NEW-e34cb1ae-2
0.152
EDJ-MED-8698005e-1
0.151
ALF-EVA-82cf4849-6
0.151
DAV-CRI-14a23e73-2
0.151
PET-SGC-908c18f3-1
0.151
WAR-XCH-b72a1bbc-35
0.151
PET-UNK-158bee2a-12
0.151
LON-WEI-b2874fec-13
0.151
MAR-TRE-799db12b-83
0.151
JAR-KUA-672ec752-3
0.151
EDJ-MED-94fddcec-1
0.150
WAR-XCH-b72a1bbc-7
0.150
MAR-TRE-3159af1a-26
0.150
MAK-UNK-7c9d1431-12
0.150
MIC-UNK-10ba69b4-3
0.150