Molecular Properties | |
SMILES: | CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)[C@@H](NCCc2ccccc2)C1 |
MW: | 421.95 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 69.72 |
cLogP: | 2.3512 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Activated haloaromatics
Hetero_hetero
BEN-DND-362d364a-2
0.652
BEN-DND-362d364a-4
0.617
BEN-DND-362d364a-3
0.598
BEN-DND-362d364a-5
0.578
PAU-WEI-b9b69149-1
0.347
ANT-OPE-7824651a-2
0.333
SAD-SAT-2ceae68f-1
0.327
SAD-SAT-c989feaa-3
0.326
MAK-UNK-af83ef51-2
0.318
AHN-SAT-de2502ba-1
0.315
WIL-LEE-23e8b574-1
0.313
MAT-POS-590ac91e-69
0.311
MAK-UNK-ec98eaf6-49
0.311
SAD-SAT-b55127ae-1
0.303
ANT-DIA-b7f58f21-4
0.303
DRA-CSI-47e38074-2
0.300
RIT-AID-d1f3f5d2-1
0.297
MAK-UNK-10dfa458-39
0.297
JOH-UNI-23d9e1b1-1
0.295
MAK-UNK-6435e6c2-5
0.294
ABB-MCD-f549d731-1
0.293
SAD-SAT-c989feaa-6
0.293
MIH-UNI-6b9ca91a-6
0.291
JOH-UNI-0e1753c1-4
0.290
JOE-SYG-2c9a1216-1
0.290
MAK-UNK-194150d3-12
0.289
MAK-UNK-10dfa458-9
0.289
DAN-LON-a5fc619e-1
0.287
DAN-LON-a5fc619e-7
0.287
NAU-LAT-e1818702-9
0.286
MAT-POS-590ac91e-58
0.286
AAR-POS-d2a4d1df-1
0.286
DUN-NEW-f8ce3686-25
0.286
DAN-LON-a5fc619e-10
0.286
NAM-UNK-f7c77a48-3
0.284
SAL-INS-1ea6d4ee-4
0.283
MAK-UNK-194150d3-4
0.283
DUN-NEW-f8ce3686-22
0.283
NAU-LAT-f723e322-5
0.282
SAD-SAT-c989feaa-7
0.280
DAN-LON-a5fc619e-3
0.280
JOH-UNI-0e1753c1-5
0.280
MAK-UNK-7c9d1431-11
0.280
TAT-ENA-80bfd3e5-43
0.280
MAR-TRE-6a44bbf2-65
0.280
JAN-GHE-5a013bed-5
0.279
MAK-UNK-31051d4e-2
0.279
MAK-UNK-194150d3-11
0.279
DAR-DIA-3e9bbd81-12
0.277
GIA-UNK-7337c2f3-2
0.277
MED-COV-4280ac29-13
0.277
MAK-UNK-6ca90168-15
0.276
AAR-POS-fca48359-5
0.275
MAK-UNK-27459e11-3
0.274
JOH-UNI-0e1753c1-2
0.273
VLA-UCB-05e51b3f-3
0.273
AAR-POS-d2a4d1df-35
0.273
JOH-UNI-0e1753c1-3
0.273
MED-COV-4280ac29-15
0.273
PAU-WEI-b9b69149-3
0.272
JAN-GHE-5a013bed-4
0.272
SAD-SAT-65574d3f-3
0.272
MAR-TRE-fd17a9b8-56
0.271
SAD-SAT-c989feaa-5
0.270
MAK-UNK-7c9d1431-23
0.270
MAR-TRE-6a44bbf2-28
0.270
MAC-MCD-76766525-1
0.269
MAK-UNK-31051d4e-1
0.269
JOH-UNI-0e1753c1-1
0.269
MAK-UNK-194150d3-8
0.269
MIC-UNK-13557a72-1
0.269
MAK-UNK-8145c7a0-3
0.269
MAK-UNK-27459e11-4
0.268
MAK-UNK-3f402c2b-2
0.268
MAK-UNK-194150d3-5
0.268
MIC-UNK-b12b7f76-2
0.268
MAK-UNK-27459e11-2
0.267
DAN-LON-a5fc619e-5
0.267
MAK-UNK-15efde89-1
0.267
LON-WEI-8f408cad-4
0.267
AAR-POS-d2a4d1df-23
0.267
MAR-TRE-6a44bbf2-18
0.267
MAK-UNK-6ca90168-13
0.267
SAD-SAT-7d5528d9-50
0.267
SAD-SAT-2fd372d1-2
0.267
TAT-ENA-80bfd3e5-14
0.267
MAK-UNK-31051d4e-3
0.267
MAR-TRE-6a44bbf2-9
0.266
WIL-LEE-23e8b574-3
0.266
MED-COV-4280ac29-38
0.265
JAN-GHE-f4ca5a00-14
0.265
JAN-GHE-f4ca5a00-17
0.265
DRA-CSI-47e38074-9
0.265
DAN-LON-a5fc619e-9
0.265
MAR-TRE-6a44bbf2-21
0.264
MAK-UNK-7c9d1431-9
0.264
SAD-SAT-65574d3f-9
0.264
PAU-WEI-b9b69149-4
0.264
MAK-UNK-8145c7a0-7
0.264
ALP-POS-8b8a49e1-8
0.263