Molecular Properties | |
SMILES: | CC(NC(=O)CCl)c1cc(Cl)cc(CC2C=CC(S(N)(=O)=O)=C2)c1 |
MW: | 389.304 |
Fraction sp3: | 0.31 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 89.26 |
cLogP: | 2.6569 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Activated double bonds (3)
Filter88_ene_sulfone
DAV-CRI-14a23e73-6
0.524
DAV-CRI-14a23e73-1
0.429
DAV-CRI-3edb475e-2
0.425
DAV-CRI-3edb475e-6
0.419
DAV-CRI-14a23e73-2
0.409
DAV-CRI-14a23e73-4
0.404
JON-UIO-82a15e73-7
0.390
AAR-POS-0daf6b7e-10
0.368
JON-UIO-82a15e73-4
0.366
DAV-CRI-3edb475e-1
0.364
JON-UIO-82a15e73-6
0.357
RIT-RIT-fdc869b4-1
0.352
TAM-UNI-d1c3dd9f-22
0.311
DAV-CRI-3edb475e-3
0.293
EDJ-MED-8698005e-1
0.289
DAV-CRI-3edb475e-4
0.284
EDJ-MED-f073a5ff-2
0.283
JOK-SYG-a0b0bf84-1
0.281
EDJ-MED-f073a5ff-1
0.277
STU-CHA-91df9a40-1
0.275
EDJ-MED-f073a5ff-4
0.270
DAV-CRI-eab5efcb-1
0.267
JON-UIO-82a15e73-1
0.266
DAV-CRI-3edb475e-5
0.264
JON-UIO-d28d79fe-5
0.263
DAV-CRI-eab5efcb-5
0.261
DAV-CRI-25b90884-1
0.260
JOK-SYG-ac99ed27-1
0.260
MAR-TRE-6a44bbf2-81
0.259
DAV-CRI-eab5efcb-4
0.258
DAV-CRI-eab5efcb-3
0.258
EDJ-MED-f073a5ff-3
0.255
DAV-CRI-eab5efcb-2
0.253
DAV-CRI-eab5efcb-8
0.253
SIM-DEM-5935bd74-8
0.250
TAM-UNI-d1c3dd9f-23
0.250
DAV-CRI-25b90884-4
0.248
WIL-UNI-1faa9b10-24
0.247
DAV-CRI-eab5efcb-6
0.247
DAV-CRI-eab5efcb-7
0.247
DAV-CRI-25b90884-3
0.245
AAR-POS-d2a4d1df-39
0.241
WIL-MOD-03b86a88-3
0.238
MAK-UNK-f983951f-13
0.237
ALP-POS-95b75b4d-7
0.237
SIM-DEM-5935bd74-6
0.232
SAD-SAT-65574d3f-2
0.232
MAR-TRE-6a44bbf2-73
0.232
RAL-THA-6b94ceba-13
0.230
DAV-CRI-25b90884-2
0.230
JON-UIO-82a15e73-12
0.229
NIR-THE-0d6461ce-8
0.228
MAK-UNK-f983951f-16
0.227
MAK-UNK-f983951f-22
0.226
SAD-SAT-581007d4-3
0.223
MAT-POS-281d2ee9-1
0.222
SAD-SAT-581007d4-10
0.220
WIL-LEE-1f71e281-7
0.220
EDG-MED-0da5ad92-17
0.219
MAK-UNK-ec98eaf6-38
0.216
JOK-SYG-b7365cd7-1
0.216
RAL-THA-6b94ceba-15
0.216
ADA-UNI-f8e79267-7
0.215
MAK-UNK-af83ef51-17
0.214
CLI-SEL-e6be0654-1
0.214
EDG-MED-0da5ad92-14
0.213
NAU-LAT-0543f7f2-7
0.212
MAR-TRE-6a44bbf2-57
0.211
NAU-LAT-0543f7f2-6
0.210
JON-UIO-82a15e73-3
0.207
MAR-TRE-c317dd82-94
0.206
RAL-THA-1d44ff04-10
0.206
MAR-TRE-e82e6c98-13
0.204
NAU-LAT-0543f7f2-5
0.204
SAD-SAT-581007d4-6
0.202
WIL-UNI-1faa9b10-33
0.202
WIL-UNI-1faa9b10-42
0.202
MAR-TRE-67513f76-66
0.202
SIM-DEM-5935bd74-5
0.202
MAK-UNK-ec98eaf6-45
0.200
WIL-MOD-03b86a88-6
0.200
JON-UIO-066ce08b-13
0.200
GIA-UNK-4de5abb1-5
0.200
MAR-TRE-6a44bbf2-62
0.200
MAK-UNK-f203cb68-2
0.198
WIL-UNI-1faa9b10-49
0.198
SAD-SAT-1f400d17-4
0.198
CAM-STU-3ef21e73-2
0.198
MAR-TRE-66ac689e-3
0.198
MAR-TRE-e86a56b5-45
0.198
SEL-UNI-cd366922-3
0.196
MIC-UNK-16ccb665-3
0.196
MAK-UNK-1cb0e944-9
0.196
ALP-POS-0c2c77e1-1
0.196
MAT-POS-bb423b95-3
0.196
MAT-POS-fce787c2-3
0.196
PAT-MCD-fb0933e5-1
0.196
MAK-UNK-72659d64-10
0.195
SAD-SAT-65574d3f-4
0.195
MAR-TRE-6a44bbf2-48
0.195