Molecular Properties | |
SMILES: | Cc1cccc(CN2CCN(C(=O)CCl)C[C@H]2CC(C)C)c1 |
MW: | 322.18 |
Fraction sp3: | 0.61 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 23.55 |
cLogP: | 3.29 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
JOH-UNI-0e1753c1-5
0.754
DAN-LON-a5fc619e-3
0.754
SAD-SAT-c989feaa-1
0.732
SAD-SAT-c989feaa-4
0.716
STU-CHA-0be58c98-1
0.694
SAD-SAT-c989feaa-2
0.693
SAD-SAT-c989feaa-9
0.684
SAD-SAT-c989feaa-6
0.551
JOH-UNI-0e1753c1-4
0.544
HYO-UNK-1dbfcf16-1
0.512
SAD-SAT-c989feaa-5
0.500
AAR-POS-d2a4d1df-24
0.493
MAK-UNK-3f402c2b-3
0.487
SAD-SAT-c989feaa-3
0.434
DAN-LON-a5fc619e-1
0.425
ANT-OPE-e67e7ba0-1
0.414
DAN-LON-a5fc619e-7
0.414
SAD-SAT-c989feaa-10
0.412
MAK-UNK-10799360-3
0.404
DAN-LON-a5fc619e-9
0.402
MAK-UNK-af83ef51-6
0.392
DAN-LON-a5fc619e-6
0.386
MAK-UNK-af83ef51-10
0.376
SAD-SAT-c989feaa-7
0.375
SAD-SAT-5b1897b2-4
0.368
MAK-UNK-ec98eaf6-45
0.367
MAK-UNK-e4a48a85-10
0.365
PAT-MCD-fb0933e5-1
0.361
DAN-LON-a5fc619e-4
0.360
GIA-UNK-7337c2f3-8
0.357
MIH-UNI-e573136b-7
0.356
NIR-THE-0d6461ce-1
0.354
MAK-UNK-af83ef51-11
0.350
MED-COV-4280ac29-7
0.349
AAR-POS-d2a4d1df-35
0.346
MED-COV-4280ac29-15
0.346
HYO-UNK-49a60884-1
0.346
JOH-UNI-0e1753c1-3
0.346
MAK-UNK-af83ef51-2
0.346
MAK-UNK-af83ef51-8
0.345
MAK-UNK-af83ef51-5
0.345
JOK-SYG-18591e8f-1
0.341
DRR-IMP-38dce17f-2
0.338
MED-COV-4280ac29-23
0.337
SEL-UNI-cd366922-9
0.337
WAL-WAB-df110a02-2
0.333
DAN-LON-a5fc619e-8
0.333
MAK-UNK-af83ef51-7
0.330
MAK-UNK-10dfa458-10
0.329
MAK-UNK-cd94b63c-1
0.326
MAK-UNK-176ca439-3
0.326
NIR-THE-c331be7a-6
0.326
SAD-SAT-581007d4-2
0.325
THO-SYG-f9b2970d-4
0.323
SAD-SAT-29425be4-20
0.322
MAT-POS-ee51dedd-1
0.321
MAK-UNK-6ca90168-10
0.321
MAK-UNK-7c9d1431-24
0.320
DRR-IMP-38dce17f-3
0.320
STU-CHA-07310c75-1
0.319
MAK-UNK-af83ef51-9
0.319
JOO-PER-74f994a9-1
0.316
SIM-SYN-f15aaa3a-2
0.315
MED-COV-4280ac29-38
0.315
MAK-UNK-ec98eaf6-32
0.315
JOH-UNI-27ac80fd-28
0.314
SAD-SAT-29425be4-18
0.314
DAN-LON-a5fc619e-2
0.310
MAK-UNK-7c9d1431-23
0.309
MAR-TRE-6a44bbf2-28
0.309
MAK-UNK-6ca90168-4
0.309
THO-SYG-f9b2970d-2
0.309
MAK-UNK-849bee6c-17
0.307
MAK-UNK-849bee6c-6
0.306
MAK-UNK-176ca439-2
0.306
GIA-UNK-7337c2f3-7
0.306
DUN-NEW-f8ce3686-22
0.306
MAK-UNK-10dfa458-39
0.306
PAU-WEI-b9b69149-3
0.305
MAK-UNK-ec98eaf6-46
0.305
MAK-UNK-849bee6c-15
0.304
MIH-UNI-e573136b-6
0.302
MAK-UNK-10799360-5
0.302
MAK-UNK-ec98eaf6-1
0.302
PAU-WEI-b9b69149-1
0.301
AVI-UNI-70b60925-1
0.300
SAD-SAT-bc31ec01-6
0.300
MAK-UNK-3e0761f8-4
0.299
YOI-UNK-12211982-4
0.299
YOI-UNK-a533afbc-4
0.299
MED-COV-4280ac29-13
0.299
MAK-UNK-ec98eaf6-9
0.298
SAL-INS-1c7a5a55-11
0.298
DAN-MCD-1c3944e2-1
0.297
MAK-UNK-849bee6c-8
0.297
MAK-UNK-ec98eaf6-44
0.297
DRR-IMP-38dce17f-4
0.296
BEN-DND-76ad4ac9-3
0.295
AHN-SAT-de2502ba-1
0.295
SIM-SYN-f15aaa3a-1
0.295