Molecular Properties | |
SMILES: | Cn1cc(N2CCCC2C(N)=O)c(CN2CCN(C(=O)CCl)CC2)n1 |
MW: | 368.869 |
Fraction sp3: | 0.69 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 87.7 |
cLogP: | -0.242799999999997 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
TAM-UNI-d1c3dd9f-9
0.561
DUN-NEW-f8ce3686-2
0.561
DUN-NEW-f8ce3686-3
0.494
MAK-UNK-7c9d1431-24
0.355
DRR-IMP-38dce17f-3
0.355
ASH-SAT-43770c7d-5
0.354
LON-WEI-8f408cad-5
0.350
SAD-SAT-bc31ec01-1
0.350
AAR-POS-0daf6b7e-17
0.350
DRR-IMP-38dce17f-6
0.346
MAR-LAB-ca4662a6-2
0.346
DRR-IMP-38dce17f-4
0.346
SEL-UNI-cd366922-6
0.345
PAU-UNI-52c0427f-1
0.341
DAR-DIA-fb20be43-4
0.341
BRU-LEF-ae0885ba-1
0.341
DRR-IMP-38dce17f-1
0.338
SAD-SAT-5b1897b2-2
0.337
DAR-DIA-fb20be43-1
0.337
MED-COV-4280ac29-33
0.333
MAK-UNK-6ca90168-14
0.333
DRR-IMP-38dce17f-7
0.333
DAR-DIA-fb20be43-5
0.333
DRR-IMP-38dce17f-5
0.333
MAK-UNK-7c9d1431-29
0.333
PAU-UNI-8cdd41c7-1
0.329
SAD-SAT-581007d4-2
0.325
AAR-POS-d2a4d1df-24
0.325
SAD-SAT-581007d4-1
0.325
MAK-UNK-7c9d1431-20
0.325
NIM-UNI-594fbbb6-3
0.323
NIM-UNI-bb610069-3
0.323
ANT-STE-dbb91f63-3
0.323
SAD-SAT-5b1897b2-5
0.322
DRR-IMP-38dce17f-2
0.321
MAK-UNK-212f693e-8
0.321
AAR-POS-0daf6b7e-13
0.321
LON-WEI-8f408cad-7
0.321
STU-CHA-464c0256-1
0.320
ANT-STE-dbb91f63-1
0.319
MED-COV-4280ac29-24
0.319
DAR-DIA-fb20be43-3
0.319
STE-KUL-2e0d2e88-7
0.319
DRR-IMP-38dce17f-8
0.319
SAD-SAT-581007d4-4
0.318
MAK-UNK-af83ef51-27
0.317
AAR-POS-0daf6b7e-2
0.317
MAK-UNK-7c9d1431-28
0.317
ANT-STE-dbb91f63-2
0.316
MAK-UNK-849bee6c-7
0.316
MAK-UNK-af83ef51-28
0.315
MAK-UNK-7c9d1431-21
0.314
AHN-SAT-de2502ba-15
0.314
HYO-UNK-49a60884-1
0.313
AAR-POS-0daf6b7e-12
0.313
JOH-UNI-27ac80fd-23
0.313
MED-COV-4280ac29-15
0.313
AAR-POS-d2a4d1df-35
0.313
JOH-UNI-0e1753c1-3
0.313
TAM-UNI-d1c3dd9f-13
0.312
DAV-CRI-d1e0885a-2
0.312
DAV-CRI-d1e0885a-4
0.312
MIH-UNI-e573136b-5
0.311
JOK-SYG-18591e8f-1
0.310
TAM-UNI-c140e31a-16
0.310
MAK-UNK-849bee6c-4
0.310
JIA-UNI-93b03cae-1
0.310
MAT-POS-2db6411e-2
0.310
SAD-SAT-581007d4-7
0.310
MED-COV-4280ac29-19
0.309
MED-COV-4280ac29-8
0.309
PAU-UNI-b2b6b158-1
0.308
JOH-UNI-27ac80fd-38
0.308
MAK-UNK-7c9d1431-18
0.308
SAD-SAT-65574d3f-10
0.307
MAK-UNK-7c9d1431-14
0.307
MAK-UNK-7c9d1431-16
0.307
MAR-TRE-6a44bbf2-54
0.307
NEH-REV-107bcf72-5
0.306
MAK-UNK-e4a48a85-25
0.305
MAK-UNK-3c359d2a-1
0.304
TAM-UNI-d1c3dd9f-19
0.304
MAK-UNK-176ca439-4
0.304
SAD-SAT-581007d4-3
0.303
TAT-ENA-80bfd3e5-20
0.303
AAR-POS-d2a4d1df-41
0.303
MAK-UNK-849bee6c-14
0.303
MAK-UNK-e4a48a85-20
0.302
SAD-SAT-1b030f84-4
0.301
DAV-CRI-d1e0885a-6
0.301
MED-COV-4280ac29-37
0.301
TAM-UNI-d1c3dd9f-16
0.301
MAK-UNK-af83ef51-1
0.300
MAK-UNK-e4a48a85-22
0.300
DRR-IMP-11d47bff-1
0.300
SAD-SAT-bc31ec01-7
0.300
MAR-TRE-6a44bbf2-56
0.300
MAK-UNK-e4a48a85-27
0.299
TAM-UNI-d1c3dd9f-5
0.299
MAK-UNK-849bee6c-9
0.299