Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(Cc2cccc(Cl)c2)[C@H](CC(C)C)C1 |
MW: | 320.17 |
Fraction sp3: | 0.5 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 23.55 |
cLogP: | 3.58 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
DAN-LON-a5fc619e-3
0.739
JOH-UNI-0e1753c1-5
0.739
JOH-UNI-0e1753c1-4
0.729
SAD-SAT-c989feaa-7
0.690
ANT-OPE-e67e7ba0-1
0.564
SAD-SAT-c989feaa-8
0.551
SAD-SAT-c989feaa-1
0.544
SAD-SAT-c989feaa-2
0.518
MAK-UNK-6ca90168-13
0.514
SAD-SAT-c989feaa-9
0.512
SAD-SAT-c989feaa-5
0.506
SAD-SAT-c989feaa-4
0.500
SAD-SAT-c989feaa-3
0.457
DAN-LON-a5fc619e-1
0.449
JOH-UNI-0e1753c1-2
0.444
DAN-LON-a5fc619e-9
0.424
DAN-LON-a5fc619e-8
0.423
SAD-SAT-b55127ae-1
0.421
DAN-LON-a5fc619e-7
0.419
MAK-UNK-ec98eaf6-45
0.419
HYO-UNK-1dbfcf16-1
0.416
DAN-LON-a5fc619e-4
0.415
JOH-UNI-0e1753c1-1
0.410
DAN-LON-a5fc619e-6
0.407
JOH-UNI-23d9e1b1-1
0.395
JOH-UNI-0e1753c1-3
0.387
AAR-POS-d2a4d1df-35
0.387
MED-COV-4280ac29-15
0.387
HYO-UNK-49a60884-1
0.387
SAD-SAT-c989feaa-10
0.384
JOH-IMS-1436231f-2
0.383
STU-CHA-0be58c98-1
0.375
MAK-UNK-ec98eaf6-46
0.367
MED-COV-4280ac29-13
0.366
ANT-OPE-3756b28b-1
0.361
DAN-LON-a5fc619e-2
0.361
MAK-UNK-10799360-33
0.351
MAK-UNK-ec98eaf6-44
0.345
AHN-SAT-02ef6d10-10
0.342
SAD-SAT-581007d4-8
0.342
DAN-LON-a5fc619e-10
0.341
MED-COV-4280ac29-14
0.338
MED-COV-4280ac29-2
0.326
ALP-POS-91609ae9-1
0.326
JOH-IMS-1436231f-6
0.324
AAR-POS-0daf6b7e-29
0.324
AVI-UNI-c9bf710f-1
0.323
ASH-SAT-43770c7d-3
0.321
SAD-SAT-1f400d17-1
0.320
SAD-SAT-7d5528d9-35
0.320
SEA-TRI-146a67b6-1
0.319
SEA-TRI-9e600f3c-1
0.319
DAN-LON-a5fc619e-5
0.319
MAK-UNK-10dfa458-9
0.317
AVI-UNI-70b60925-1
0.316
SAD-SAT-1f400d17-6
0.316
MAT-POS-4e253971-2
0.315
SAD-SAT-7d5528d9-6
0.312
SAD-SAT-7d5528d9-21
0.306
MAK-UNK-3f402c2b-3
0.302
PAT-MCD-fb0933e5-1
0.302
MAK-UNK-10dfa458-10
0.301
JAG-UCB-cedd89ab-2
0.301
MAT-POS-6da3605a-2
0.301
MED-COV-4280ac29-32
0.299
VLA-UNK-411a133b-1
0.298
NAM-UNK-f7c77a48-4
0.298
MED-COV-4280ac29-6
0.296
SAD-SAT-7d5528d9-7
0.296
MAK-UNK-10dfa458-14
0.296
MIC-UNK-13557a72-1
0.294
BEN-DND-362d364a-1
0.293
ERI-UCB-a0b0dbcb-12
0.293
MIC-UNK-b12b7f76-2
0.292
EDJ-MED-239d8ca5-1
0.292
SAD-SAT-65574d3f-9
0.291
DAR-DIA-076fb6ea-2
0.290
PAU-WEI-b9b69149-1
0.290
STU-CHA-128b80be-2
0.290
ANT-OPE-c0c3e7cc-1
0.289
MED-COV-4280ac29-38
0.289
SEA-TRI-98d2cd42-1
0.288
SEA-TRI-078a8df3-1
0.288
MAK-UNK-6ca90168-15
0.287
ALP-POS-91609ae9-2
0.286
SAD-SAT-7d5528d9-24
0.286
JAN-GHE-5a013bed-1
0.286
EDJ-MED-239d8ca5-2
0.283
SAD-SAT-7d5528d9-42
0.283
NAU-LAT-e1818702-7
0.282
JAG-UCB-a3ef7265-17
0.282
PAU-WEI-b9b69149-3
0.281
NAU-LAT-e1818702-1
0.281
JOH-UNI-27ac80fd-10
0.281
JAN-GHE-f4ca5a00-12
0.281
MAK-UNK-10799360-36
0.281
SAD-SAT-b55127ae-4
0.280
SAD-SAT-b55127ae-10
0.280
NAM-UNK-f7c77a48-3
0.280
AAR-POS-d2a4d1df-24
0.280