Molecular Properties | |
SMILES: | CC(C)C[C@@H]1CN(C(=O)CCl)CCN1Cc1cccc(F)c1 |
MW: | 326.16 |
Fraction sp3: | 0.59 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 23.55 |
cLogP: | 3.12 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
DAN-LON-a5fc619e-3
0.743
JOH-UNI-0e1753c1-5
0.743
SAD-SAT-c989feaa-8
0.732
SAD-SAT-c989feaa-2
0.684
SAD-SAT-c989feaa-4
0.681
SAD-SAT-c989feaa-9
0.675
SAD-SAT-c989feaa-6
0.544
JOH-UNI-0e1753c1-4
0.537
HYO-UNK-1dbfcf16-1
0.506
STU-CHA-0be58c98-1
0.500
SAD-SAT-c989feaa-5
0.494
DRR-IMP-38dce17f-2
0.479
BEN-DND-76ad4ac9-3
0.438
SAD-SAT-c989feaa-3
0.429
DAN-LON-a5fc619e-1
0.420
ANT-OPE-e67e7ba0-1
0.409
SAD-SAT-c989feaa-10
0.407
DAN-LON-a5fc619e-9
0.398
DAN-LON-a5fc619e-7
0.393
AHN-SAT-02ef6d10-10
0.385
DAN-LON-a5fc619e-6
0.382
SAD-SAT-c989feaa-7
0.371
JON-MCD-47e58de1-1
0.363
MAK-UNK-ec98eaf6-45
0.363
MAK-UNK-10799360-28
0.362
PAT-MCD-fb0933e5-1
0.357
SAD-SAT-bc31ec01-6
0.356
VIT-UNK-cff011c0-2
0.356
VIT-UNK-2a0afa28-3
0.349
DAN-LON-a5fc619e-4
0.341
AAR-POS-d2a4d1df-24
0.338
VIT-UNK-cff011c0-1
0.337
MAR-TRE-6a44bbf2-18
0.333
BEN-DND-03406596-10
0.333
LON-WEI-8f408cad-4
0.333
AAR-POS-d2a4d1df-23
0.333
MAK-UNK-10799360-27
0.330
NIM-UNI-310206f0-54
0.327
MAK-UNK-3f402c2b-3
0.326
JOH-UNI-27ac80fd-28
0.326
BEN-DND-76ad4ac9-4
0.325
AAR-POS-d2a4d1df-35
0.325
MED-COV-4280ac29-15
0.325
MAC-MCD-76766525-1
0.325
HYO-UNK-49a60884-1
0.325
JOH-UNI-0e1753c1-3
0.325
SAD-SAT-581007d4-9
0.322
GIA-UNK-7337c2f3-5
0.322
BEN-DND-76ad4ac9-7
0.321
JOK-SYG-18591e8f-1
0.321
SAD-SAT-581007d4-1
0.321
VIT-UNK-2a0afa28-1
0.320
THO-SYG-f9b2970d-4
0.319
THO-SYG-f9b2970d-2
0.319
DAN-LON-a5fc619e-8
0.314
MED-COV-4280ac29-38
0.311
GIA-UNK-4de5abb1-4
0.311
MAR-TRE-6a44bbf2-39
0.310
MAK-UNK-af83ef51-2
0.310
AAR-POS-d2a4d1df-33
0.310
DAR-DIA-caba39e3-1
0.308
BEN-DND-76ad4ac9-14
0.307
DAN-LON-a5fc619e-2
0.307
BEN-DND-03406596-3
0.307
MAR-TRE-6a44bbf2-3
0.303
MAC-MCD-4707377b-1
0.303
MAK-UNK-176ca439-2
0.303
MAT-POS-ee51dedd-1
0.302
VIT-UNK-cff011c0-3
0.301
MAK-UNK-176ca439-7
0.300
NIM-UNI-310206f0-17
0.299
AVI-UNI-70b60925-1
0.297
MED-COV-4280ac29-13
0.295
SAL-INS-1c7a5a55-11
0.295
MAK-UNK-176ca439-3
0.295
JOE-SYG-2c9a1216-1
0.295
MAK-UNK-cd94b63c-1
0.295
MAK-UNK-ec98eaf6-44
0.293
AAR-POS-d2a4d1df-29
0.291
MAR-TRE-6a44bbf2-61
0.291
MAK-UNK-ec98eaf6-46
0.289
MAK-UNK-849bee6c-15
0.288
DUN-NEW-f8ce3686-22
0.287
JOH-UNI-0e1753c1-1
0.287
SAD-SAT-5b1897b2-5
0.287
KAI-MCD-cb49037b-1
0.286
BEN-DND-76ad4ac9-6
0.286
JOH-UNI-27ac80fd-35
0.286
MAK-UNK-3f402c2b-2
0.286
MAK-UNK-10799360-3
0.286
PAU-WEI-b9b69149-1
0.284
MAK-UNK-849bee6c-7
0.284
DAN-PUR-3907f623-1
0.284
BEN-DND-76ad4ac9-8
0.282
MAK-UNK-7c9d1431-24
0.282
DRR-IMP-38dce17f-3
0.282
BOG-INS-da52c1c2-1
0.282
TAT-ENA-80bfd3e5-10
0.280
MAK-UNK-849bee6c-17
0.279
JOH-UNI-27ac80fd-8
0.278