Molecular Properties | |
SMILES: | CC(NC(=O)CCl)c1cc(Cl)ccc1Oc1cccc(S(N)(=O)=O)c1 |
MW: | 403.287 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 98.49 |
cLogP: | 3.1957 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAV-CRI-3edb475e-3
0.421
CHR-SOS-7098f804-17
0.417
AAR-POS-0daf6b7e-10
0.359
CHR-SOS-7098f804-22
0.350
DAV-CRI-14a23e73-1
0.341
AAR-POS-d2a4d1df-39
0.325
RIT-RIT-fdc869b4-1
0.321
DAV-CRI-14a23e73-2
0.312
JOK-SYG-a0b0bf84-1
0.303
DAV-CRI-eab5efcb-1
0.303
WIL-UNI-1faa9b10-49
0.303
DAV-CRI-3edb475e-5
0.302
SAD-SAT-89668ff1-2
0.302
JON-UIO-82a15e73-7
0.298
CHR-SOS-363cfb78-6
0.296
DAV-CRI-14a23e73-4
0.296
JOK-SYG-ac99ed27-1
0.293
DAV-CRI-3edb475e-4
0.293
CHR-SOS-70e4c98a-7
0.290
DAV-CRI-3edb475e-1
0.289
JON-UIO-82a15e73-6
0.289
DAV-CRI-14a23e73-6
0.287
CHR-SOS-70e4c98a-9
0.284
JON-UIO-82a15e73-4
0.281
PEI-IMP-ca0b2813-3
0.280
CHR-SOS-70e4c98a-4
0.279
DAV-CRI-3edb475e-2
0.277
DAV-CRI-14a23e73-5
0.275
DAV-CRI-3edb475e-6
0.274
CHR-SOS-70e4c98a-12
0.274
CHR-SOS-363cfb78-5
0.270
WIL-UNI-1faa9b10-24
0.268
DAV-CRI-25b90884-1
0.268
SAD-SAT-c989feaa-9
0.267
CHR-SOS-1f323c23-11
0.267
DAV-CRI-eab5efcb-4
0.266
SAD-SAT-1f400d17-4
0.265
TAM-UNI-d1c3dd9f-22
0.263
TAM-UNI-d1c3dd9f-24
0.263
MAK-UNK-1cb0e944-9
0.262
CHR-SOS-1f323c23-8
0.262
CHR-SOS-1f323c23-5
0.259
TAM-UNI-d1c3dd9f-21
0.257
DAV-CRI-eab5efcb-5
0.255
DAV-CRI-eab5efcb-6
0.255
EDJ-MED-e58735b6-3
0.255
MAR-TRE-4b834d9a-79
0.255
CHR-SOS-1f323c23-2
0.255
DAV-CRI-25b90884-3
0.253
RAL-THA-6b94ceba-13
0.250
MAT-POS-90fd5f68-11
0.248
JOK-SYG-b7365cd7-1
0.248
LON-WEI-b8d98729-4
0.247
JAN-GHE-1d98ec1c-7
0.247
DAV-CRI-eab5efcb-8
0.247
DAV-CRI-eab5efcb-2
0.247
TAM-UNI-d1c3dd9f-23
0.245
WIL-UNI-1faa9b10-38
0.245
NIR-THE-0d6461ce-5
0.245
MAR-TRE-fd17a9b8-83
0.245
KEI-TRE-d5e2018a-31
0.244
CHR-SOS-e960e883-6
0.243
MAR-TRE-f5c2d31c-94
0.243
DAV-CRI-eab5efcb-7
0.242
EDJ-MED-8698005e-1
0.242
WIL-LEE-1f71e281-7
0.242
SAD-SAT-65574d3f-2
0.241
MAR-TRE-6a44bbf2-73
0.241
WAR-XCH-b6889685-17
0.240
CHA-MCP-85291e1d-2
0.240
DAV-CRI-eab5efcb-3
0.240
DRR-IMP-dff87f5e-8
0.239
KEI-TRE-d5e2018a-39
0.239
CHR-SOS-e960e883-5
0.239
MAT-POS-fa06b69f-5
0.238
TAT-ENA-80bfd3e5-36
0.238
EDJ-MED-f073a5ff-2
0.237
YOI-UNK-15f562e8-3
0.237
MAT-POS-90fd5f68-29
0.236
LIZ-THE-d3ff4653-2
0.235
MAR-TRE-36bf7dba-27
0.235
MAR-TRE-66ac689e-27
0.235
JAN-GHE-1d98ec1c-9
0.235
CHR-SOS-e960e883-4
0.234
CHR-SOS-7098f804-19
0.234
NAU-LAT-0543f7f2-5
0.234
ALP-POS-95b75b4d-7
0.232
JON-UIO-d28d79fe-5
0.232
EDJ-MED-f073a5ff-1
0.232
EDJ-MED-b24713dc-2
0.232
CHA-MCP-85291e1d-4
0.232
MAK-UNK-f983951f-13
0.232
NIC-BIO-7d400292-3
0.231
DAV-CRI-25b90884-4
0.231
CHR-SOS-e960e883-3
0.231
WIL-UNI-1faa9b10-16
0.230
EDJ-MED-f073a5ff-3
0.228
MAK-UNK-53da93bf-5
0.228
CLI-SEL-8a9c31f1-1
0.228
SIM-DEM-5935bd74-3
0.227