Molecular Properties | |
SMILES: | CC(=O)NCCc1cn(C)c2c(CN3CCN(C(=O)CCl)CC3)cccc12 |
MW: | 390.915 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 57.58 |
cLogP: | 1.7399 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
TAM-UNI-d1c3dd9f-19
0.576
DUN-NEW-f8ce3686-24
0.558
TAM-UNI-d1c3dd9f-24
0.471
MED-COV-4280ac29-31
0.463
AAR-POS-d2a4d1df-40
0.463
NAU-LAT-f723e322-1
0.457
STU-CHA-bc0a9883-1
0.457
DAR-DIA-fb20be43-15
0.457
JOK-SYG-302da050-1
0.457
DAR-DIA-fb20be43-11
0.457
JOK-SYG-b9f02a42-3
0.443
DAR-DIA-fb20be43-14
0.442
JOK-SYG-b9f02a42-1
0.442
MAK-UNK-7c9d1431-20
0.442
PAT-UNK-b2d83456-4
0.438
JOK-SYG-b9f02a42-2
0.433
MAK-UNK-176ca439-2
0.415
STE-UNK-13e151dd-1
0.414
DAR-DIA-fb20be43-10
0.411
JAN-GHE-6413aaf8-5
0.411
TAT-ENA-80bfd3e5-20
0.410
AAR-POS-d2a4d1df-41
0.410
TAM-UNI-d1c3dd9f-18
0.409
DAR-DIA-fb20be43-2
0.407
SEL-UNI-cd366922-6
0.405
MED-COV-4280ac29-37
0.402
DAR-DIA-fb20be43-13
0.402
MIH-UNI-e573136b-5
0.400
TAM-UNI-d1c3dd9f-13
0.396
DAR-DIA-fb20be43-7
0.389
JOO-PER-d7ab4f65-1
0.388
PAU-UNI-19862c28-1
0.386
DAR-DIA-fb20be43-8
0.386
MIH-UNI-e573136b-4
0.385
NEH-REV-107bcf72-5
0.383
WIL-LEE-23e8b574-3
0.376
DAR-DIA-fb20be43-9
0.376
HYO-UNK-50298ba0-1
0.375
SEL-UNI-cd366922-8
0.374
STU-CHA-464c0256-1
0.372
WIL-LEE-23e8b574-2
0.370
AAR-POS-d2a4d1df-24
0.370
NIR-THE-0d6461ce-3
0.370
DAR-DIA-fb20be43-6
0.370
MED-COV-4280ac29-21
0.369
DRR-IMP-38dce17f-3
0.368
MAK-UNK-7c9d1431-24
0.368
DRR-IMP-38dce17f-1
0.367
MAK-UNK-af83ef51-15
0.366
DRR-IMP-38dce17f-2
0.366
SAD-SAT-65574d3f-10
0.365
PAU-WEI-f734c343-1
0.364
PAU-UNI-b2b6b158-1
0.364
TAM-UNI-d1c3dd9f-17
0.363
SAD-SAT-bc31ec01-1
0.362
AAR-POS-0daf6b7e-17
0.362
LON-WEI-8f408cad-5
0.362
MAK-UNK-e4a48a85-26
0.362
PAU-WEI-b9b69149-7
0.361
STU-CHA-6cae54d3-1
0.361
DAR-DIA-fb20be43-3
0.359
DRR-IMP-38dce17f-4
0.358
AAR-POS-d2a4d1df-35
0.358
MED-COV-4280ac29-15
0.358
HYO-UNK-49a60884-1
0.358
JOH-UNI-0e1753c1-3
0.358
TAM-UNI-d1c3dd9f-4
0.358
TAM-UNI-d1c3dd9f-15
0.358
BOG-INS-0b2b845a-1
0.356
MED-COV-dea4df70-1
0.356
PAU-WEI-b9b69149-8
0.355
DUN-NEW-f8ce3686-11
0.354
NAU-LAT-81109c57-6
0.354
STU-CHA-6d5cfe2b-1
0.354
JOK-SYG-18591e8f-1
0.353
BOG-INS-bdba9cfb-1
0.352
DUN-NEW-f8ce3686-13
0.351
NAU-LAT-f723e322-2
0.350
DUN-NEW-f8ce3686-5
0.349
SAN-PRS-3c4a6997-3
0.349
HAN-NEW-5f56c3bc-4
0.349
MED-COV-4280ac29-35
0.348
STE-KUL-2e0d2e88-2
0.348
DAR-DIA-fb20be43-12
0.347
TAM-UNI-d1c3dd9f-14
0.347
JOH-MSK-d60b0211-1
0.347
PAT-UNK-b2d83456-5
0.347
MAK-UNK-7c9d1431-29
0.346
DRR-IMP-38dce17f-5
0.346
MAK-UNK-7c9d1431-28
0.346
DRR-IMP-38dce17f-8
0.344
MED-COV-4280ac29-24
0.344
JOO-PER-58e158bd-1
0.344
DAV-CRI-d1e0885a-3
0.344
DUN-NEW-f8ce3686-2
0.344
TAM-UNI-d1c3dd9f-9
0.344
STU-CHA-5350f95a-1
0.343
PAU-WEI-b9b69149-9
0.342
DRR-IMP-38dce17f-6
0.342
MAR-LAB-ca4662a6-2
0.341