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
DRR-IMP-dff87f5e-8
0.381
DAN-MCD-34fd4f29-1
0.373
DAN-MCD-1a622181-1
0.373
DAN-MCD-9950a804-1
0.373
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
DAN-MCD-1c3944e2-1
0.314
DAN-MCD-9b81d1fa-1
0.314
DAN-MCD-b3a5626f-1
0.314
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
DAN-MCD-68a9aade-1
0.301
DAN-MCD-a37c31cb-1
0.301
DAN-MCD-e5161b06-1
0.301
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
VLA-UNK-dc1d9354-1
0.289
DAN-LON-a5fc619e-1
0.287
AAR-UNI-c25c2f1e-78
0.287
DAN-LON-a5fc619e-7
0.287
NAU-LAT-e1818702-9
0.286
DUN-NEW-f8ce3686-25
0.286
DAN-LON-a5fc619e-10
0.286
AAR-POS-d2a4d1df-1
0.286
MAT-POS-590ac91e-58
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
DAN-LON-a5fc619e-3
0.280
SAD-SAT-c989feaa-7
0.280
JOH-UNI-0e1753c1-5
0.280
TAT-ENA-80bfd3e5-43
0.280
MAK-UNK-7c9d1431-11
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
MED-COV-4280ac29-13
0.277
DAR-DIA-3e9bbd81-12
0.277
GIA-UNK-7337c2f3-2
0.277
MAK-UNK-6ca90168-15
0.276
DAN-MCD-f396e45b-1
0.275
DAN-MCD-9cdc9f7f-1
0.275
AAR-POS-fca48359-5
0.275
MAK-UNK-27459e11-3
0.274
JOH-UNI-0e1753c1-2
0.273
AAR-POS-d2a4d1df-35
0.273
MED-COV-4280ac29-15
0.273
HYO-UNK-49a60884-1
0.273
VLA-UCB-05e51b3f-3
0.273
JOH-UNI-0e1753c1-3
0.273
PAU-WEI-b9b69149-3
0.272
JAN-GHE-5a013bed-4
0.272
PEI-IMP-e4a008a2-1
0.272
SAD-SAT-65574d3f-3
0.272
MAR-TRE-fd17a9b8-56
0.271
AAR-UNI-c25c2f1e-62
0.271
EDJ-MED-c292668a-1
0.271
SAD-SAT-c989feaa-5
0.270
MAR-TRE-6a44bbf2-28
0.270
MAK-UNK-7c9d1431-23
0.270
MAK-UNK-31051d4e-1
0.269
MAC-MCD-76766525-1
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-194150d3-5
0.268
MIC-UNK-b12b7f76-2
0.268
MAK-UNK-3f402c2b-2
0.268
DAR-DIA-6a49afbe-4
0.268
MAK-UNK-27459e11-2
0.267
DAN-LON-a5fc619e-5
0.267
BEN-DND-03406596-10
0.267
MAK-UNK-31051d4e-3
0.267
SAD-SAT-7d5528d9-50
0.267