Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(Cc2cccc(Cl)c2)[C@H](CC(N)=O)C1 |
MW: | 321.12 |
Fraction sp3: | 0.38 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 66.64 |
cLogP: | 1.41 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
SAD-SAT-c989feaa-5
0.725
SAD-SAT-c989feaa-6
0.690
STU-CHA-0be58c98-1
0.532
DAN-LON-a5fc619e-3
0.519
JOH-UNI-0e1753c1-5
0.519
MAK-UNK-6ca90168-13
0.514
JOH-UNI-0e1753c1-4
0.512
DAN-LON-a5fc619e-1
0.487
JOH-UNI-0e1753c1-2
0.465
DAN-LON-a5fc619e-8
0.442
SAD-SAT-c989feaa-3
0.439
SAD-SAT-b55127ae-1
0.421
DAN-LON-a5fc619e-6
0.407
DAN-LON-a5fc619e-9
0.407
JOH-UNI-0e1753c1-3
0.405
HYO-UNK-49a60884-1
0.405
AAR-POS-d2a4d1df-35
0.405
MED-COV-4280ac29-15
0.405
DAN-LON-a5fc619e-7
0.402
JOH-IMS-1436231f-2
0.383
JOH-UNI-23d9e1b1-1
0.377
SAD-SAT-c989feaa-8
0.375
ANT-OPE-e67e7ba0-1
0.371
SAD-SAT-c989feaa-1
0.371
SAD-SAT-c989feaa-9
0.366
DAN-LON-a5fc619e-2
0.361
MAK-UNK-ec98eaf6-44
0.360
JOH-UNI-0e1753c1-1
0.358
SAD-SAT-c989feaa-2
0.355
MAK-UNK-ec98eaf6-46
0.352
MED-COV-4280ac29-13
0.349
DAN-LON-a5fc619e-4
0.349
ANT-OPE-3756b28b-1
0.345
SAD-SAT-581007d4-8
0.342
AHN-SAT-02ef6d10-10
0.342
DAN-LON-a5fc619e-10
0.341
MAK-UNK-ec98eaf6-45
0.341
MED-COV-4280ac29-14
0.338
MAK-UNK-10799360-33
0.337
SEA-TRI-146a67b6-1
0.333
MED-COV-4280ac29-32
0.329
MED-COV-4280ac29-2
0.326
SAD-SAT-c989feaa-4
0.326
AAR-POS-0daf6b7e-29
0.324
JOH-IMS-1436231f-6
0.324
AVI-UNI-c9bf710f-1
0.323
MIC-UNK-b12b7f76-2
0.322
ASH-SAT-43770c7d-3
0.321
SAD-SAT-1f400d17-1
0.320
SAD-SAT-7d5528d9-35
0.320
SEA-TRI-9e600f3c-1
0.319
DAN-LON-a5fc619e-5
0.319
AVI-UNI-70b60925-1
0.316
SAD-SAT-1f400d17-6
0.316
MAT-POS-4e253971-2
0.315
JAN-GHE-f4ca5a00-16
0.307
SAD-SAT-7d5528d9-21
0.306
PAU-WEI-b9b69149-1
0.304
MAK-UNK-3f402c2b-3
0.302
ALP-POS-91609ae9-2
0.300
SAD-SAT-7d5528d9-6
0.299
MAK-UNK-10799360-28
0.299
NAM-UNK-f7c77a48-4
0.298
VLA-UNK-411a133b-1
0.298
NAU-LAT-e1818702-2
0.297
MED-COV-4280ac29-6
0.296
ALP-POS-91609ae9-1
0.295
JAN-GHE-f4ca5a00-12
0.295
NAU-LAT-e1818702-1
0.295
VIT-UNK-2a0afa28-3
0.295
ANT-OPE-d972fbad-1
0.295
SAD-SAT-7d5528d9-49
0.295
MIC-UNK-13557a72-1
0.294
SAD-SAT-c989feaa-10
0.293
ERI-UCB-a0b0dbcb-12
0.293
SAD-SAT-65574d3f-9
0.291
SAD-SAT-7d5528d9-15
0.290
MAK-UNK-df1a028e-8
0.289
ANT-OPE-c0c3e7cc-1
0.289
JAN-GHE-f4ca5a00-14
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
PAT-MCD-fb0933e5-1
0.287
SAD-SAT-7d5528d9-11
0.287
SAD-SAT-7d5528d9-24
0.286
MAK-UNK-10dfa458-10
0.286
HYO-UNK-1dbfcf16-1
0.286
SAD-SAT-7d5528d9-36
0.286
MAK-UNK-10dfa458-14
0.283
SAD-SAT-7d5528d9-7
0.283
NAU-LAT-e1818702-7
0.282
JAG-UCB-a3ef7265-17
0.282
MED-COV-4280ac29-12
0.282
MED-COV-4280ac29-29
0.282
PAU-WEI-b9b69149-3
0.281
SAD-SAT-b55127ae-4
0.280
AAR-POS-d2a4d1df-24
0.280
NAM-UNK-f7c77a48-3
0.280