Molecular Properties | |
SMILES: | NC(=O)C1CCCN1c1ccccc1CN1CCN(C(=O)CCl)CC1 |
MW: | 364.877 |
Fraction sp3: | 0.56 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 69.88 |
cLogP: | 1.0237 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
TAM-UNI-d1c3dd9f-9
1.000
DUN-NEW-f8ce3686-3
0.587
TAM-UNI-d1c3dd9f-2
0.561
MIH-UNI-e573136b-5
0.468
MAK-UNK-7c9d1431-20
0.459
SEL-UNI-cd366922-6
0.438
AAR-POS-d2a4d1df-41
0.425
TAT-ENA-80bfd3e5-20
0.425
SAD-SAT-bc31ec01-1
0.413
MED-COV-4280ac29-31
0.407
AAR-POS-d2a4d1df-40
0.407
DRR-IMP-38dce17f-3
0.403
MAK-UNK-7c9d1431-24
0.403
PAU-UNI-19862c28-1
0.384
DAR-DIA-fb20be43-8
0.384
NEH-REV-107bcf72-5
0.380
TAM-UNI-d1c3dd9f-13
0.378
LON-WEI-8f408cad-5
0.377
AAR-POS-0daf6b7e-17
0.377
DRR-IMP-38dce17f-5
0.377
TAM-UNI-d1c3dd9f-18
0.375
MAK-UNK-e4a48a85-26
0.374
DAR-DIA-fb20be43-2
0.372
DRR-IMP-38dce17f-4
0.372
DAR-DIA-fb20be43-7
0.371
TAM-UNI-d1c3dd9f-15
0.370
STU-CHA-464c0256-1
0.370
AAR-POS-d2a4d1df-24
0.367
MIH-UNI-e573136b-4
0.367
STE-UNK-13e151dd-1
0.364
DRR-IMP-38dce17f-1
0.364
MAK-UNK-10dfa458-38
0.362
MAK-UNK-7c9d1431-29
0.360
MAK-UNK-7c9d1431-28
0.359
MAK-UNK-6ca90168-14
0.359
DRR-IMP-38dce17f-7
0.359
TAM-UNI-d1c3dd9f-14
0.359
DAR-DIA-fb20be43-9
0.359
ANT-STE-dbb91f63-3
0.359
STE-KUL-2e0d2e88-7
0.356
DRR-IMP-38dce17f-6
0.355
AAR-POS-d2a4d1df-35
0.354
MED-COV-4280ac29-15
0.354
JOH-UNI-0e1753c1-3
0.354
HYO-UNK-49a60884-1
0.354
MED-COV-4280ac29-37
0.352
DAR-DIA-fb20be43-6
0.352
STU-CHA-0f79177c-1
0.347
AAR-POS-0daf6b7e-13
0.346
MAK-UNK-212f693e-8
0.346
LON-WEI-8f408cad-7
0.346
ASH-SAT-43770c7d-5
0.346
DRR-IMP-38dce17f-2
0.346
MAT-POS-ee51dedd-1
0.345
MAK-UNK-7c9d1431-14
0.345
SAD-SAT-65574d3f-10
0.345
MED-COV-4280ac29-8
0.344
TAM-UNI-d1c3dd9f-17
0.344
TAM-UNI-d1c3dd9f-20
0.344
TAM-UNI-c140e31a-16
0.344
AAR-POS-0daf6b7e-2
0.342
AAR-POS-d2a4d1df-28
0.341
GIA-UNK-20b63697-6
0.341
HYO-UNK-50298ba0-1
0.341
DRR-IMP-38dce17f-8
0.341
DAR-DIA-fb20be43-3
0.341
PAU-UNI-8cdd41c7-1
0.338
JOH-UNI-27ac80fd-23
0.338
MAR-LAB-ca4662a6-2
0.338
AAR-POS-0daf6b7e-12
0.338
MAK-UNK-7c9d1431-21
0.337
AHN-SAT-de2502ba-15
0.337
MAK-UNK-af83ef51-1
0.337
DUN-NEW-f8ce3686-24
0.337
MAK-UNK-af83ef51-15
0.337
JOK-SYG-18591e8f-1
0.333
SAD-SAT-5b1897b2-10
0.333
JIA-UNI-93b03cae-1
0.333
MAR-TRE-6a44bbf2-27
0.333
DAR-DIA-fb20be43-13
0.330
MED-COV-4280ac29-19
0.330
DAR-DIA-fb20be43-12
0.330
MED-COV-4280ac29-25
0.330
NEH-REV-107bcf72-3
0.330
MAK-UNK-7c9d1431-18
0.330
PAU-UNI-b2b6b158-1
0.330
MAR-TRE-6a44bbf2-54
0.329
DAV-CRI-d1e0885a-1
0.329
MAK-UNK-7c9d1431-16
0.329
MAK-UNK-6ca90168-10
0.329
TAM-UNI-d1c3dd9f-4
0.326
JOO-PER-58e158bd-1
0.326
DAR-DIA-fb20be43-5
0.326
MED-COV-4280ac29-33
0.326
MAK-UNK-176ca439-4
0.323
MAK-UNK-3c359d2a-1
0.323
MAK-UNK-849bee6c-7
0.323
MED-COV-dea4df70-1
0.322
SAD-SAT-bc31ec01-7
0.322
STU-CHA-7b3b91d5-1
0.320