Molecular Properties | |
SMILES: | CC(=O)NCCC1=CNc2cc(CN3CCN(C(=O)CCl)CC3)ccc2C1 |
MW: | 390.915 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 64.68 |
cLogP: | 1.9477 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-24
TAM-UNI-d1c3dd9f-19
0.468
AAR-POS-d2a4d1df-24
0.438
WIL-LEE-23e8b574-3
0.424
DRR-IMP-38dce17f-2
0.415
MAK-UNK-176ca439-2
0.412
TAM-UNI-d1c3dd9f-5
0.409
JOH-UNI-0e1753c1-3
0.407
HYO-UNK-49a60884-1
0.407
MED-COV-4280ac29-15
0.407
AAR-POS-d2a4d1df-35
0.407
WIL-LEE-23e8b574-2
0.402
JOK-SYG-18591e8f-1
0.400
MAK-UNK-7c9d1431-16
0.395
MAR-TRE-6a44bbf2-54
0.395
SAD-SAT-5b1897b2-5
0.395
DUN-NEW-f8ce3686-24
0.394
DRR-IMP-38dce17f-3
0.385
MAK-UNK-7c9d1431-24
0.385
DAR-DIA-fb20be43-14
0.382
JOK-SYG-b9f02a42-1
0.382
SEL-UNI-cd366922-7
0.380
JOK-SYG-302da050-1
0.380
NAU-LAT-f723e322-1
0.380
STU-CHA-bc0a9883-1
0.380
DAR-DIA-fb20be43-15
0.380
DAR-DIA-fb20be43-11
0.380
MAK-UNK-7c9d1431-29
0.380
MAT-POS-ee51dedd-1
0.379
MAK-UNK-7c9d1431-14
0.379
TAM-UNI-d1c3dd9f-6
0.379
MAK-UNK-7c9d1431-18
0.378
JOK-SYG-b9f02a42-2
0.375
TAM-UNI-d1c3dd9f-12
0.375
TAM-UNI-d1c3dd9f-20
0.374
MAK-UNK-af83ef51-14
0.373
DAR-DIA-fb20be43-13
0.373
JOK-SYG-b9f02a42-3
0.371
JIA-UNI-93b03cae-1
0.369
DAR-DIA-fb20be43-10
0.366
MAK-UNK-176ca439-3
0.365
MAK-UNK-cd94b63c-1
0.365
DRR-IMP-38dce17f-7
0.361
MAK-UNK-6ca90168-14
0.361
PAU-UNI-8cdd41c7-1
0.358
DRR-IMP-38dce17f-6
0.358
DRR-IMP-38dce17f-4
0.357
MAK-UNK-7c9d1431-21
0.356
TAM-UNI-d1c3dd9f-16
0.355
MAK-UNK-849bee6c-7
0.354
MAK-UNK-849bee6c-14
0.354
SAD-SAT-581007d4-2
0.353
SAD-SAT-581007d4-1
0.353
MAK-UNK-849bee6c-9
0.351
MAK-UNK-212f693e-8
0.349
LON-WEI-8f408cad-7
0.349
AAR-POS-0daf6b7e-13
0.349
TAM-UNI-d1c3dd9f-18
0.347
MAK-UNK-af83ef51-20
0.346
LON-WEI-8f408cad-5
0.345
AAR-POS-0daf6b7e-17
0.345
SAD-SAT-581007d4-4
0.344
MAK-UNK-e4a48a85-18
0.343
MAK-UNK-849bee6c-17
0.343
MAT-POS-2db6411e-2
0.337
SAD-SAT-581007d4-7
0.337
MAK-UNK-176ca439-7
0.336
JOO-PER-d7ab4f65-1
0.333
MAK-UNK-849bee6c-16
0.333
NEH-REV-107bcf72-5
0.333
MAK-UNK-af83ef51-21
0.333
TAM-UNI-d1c3dd9f-17
0.333
STU-CHA-6cae54d3-1
0.333
MAK-UNK-849bee6c-4
0.333
MAK-UNK-849bee6c-8
0.333
MAK-UNK-849bee6c-12
0.333
DRR-IMP-38dce17f-1
0.333
NIR-THE-0d6461ce-3
0.330
MAK-UNK-849bee6c-5
0.330
TAM-UNI-d1c3dd9f-4
0.330
MED-COV-4280ac29-33
0.330
SAD-SAT-581007d4-3
0.330
AAR-POS-0daf6b7e-2
0.329
MAK-UNK-176ca439-4
0.327
MAK-UNK-3c359d2a-1
0.327
NAU-LAT-81109c57-6
0.327
DAV-CRI-d1e0885a-6
0.326
MED-COV-4280ac29-37
0.326
SEL-UNI-cd366922-6
0.326
JOH-UNI-27ac80fd-23
0.326
AAR-POS-0daf6b7e-12
0.326
MAR-LAB-ca4662a6-2
0.326
TAM-UNI-d1c3dd9f-13
0.323
MIH-UNI-e573136b-5
0.323
JAN-GHE-1d98ec1c-8
0.323
MAK-UNK-7c9d1431-20
0.322
MAK-UNK-e4a48a85-27
0.321
ASH-SAT-43770c7d-5
0.318
SAD-SAT-5b1897b2-2
0.318
STU-CHA-5350f95a-1
0.318
MAK-UNK-849bee6c-3
0.318