Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 |
MW: | 264.1 |
Fraction sp3: | 0.36 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 2.17 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z1937758483 |
Mcule: | MCULE-6751549750 |
MolPort: | MolPort-046-622-959 |
AAR-POS-d2a4d1df-24
JOH-UNI-0e1753c1-2
0.800
JOH-UNI-23d9e1b1-1
0.673
JOH-UNI-0e1753c1-3
0.667
HYO-UNK-49a60884-1
0.667
MED-COV-4280ac29-15
0.667
AAR-POS-d2a4d1df-35
0.667
AHN-SAT-02ef6d10-10
0.643
SAD-SAT-1f400d17-1
0.604
JOH-UNI-0e1753c1-1
0.600
SAD-SAT-1f400d17-6
0.593
SAD-SAT-b55127ae-1
0.567
SAD-SAT-581007d4-8
0.559
SEA-TRI-9e600f3c-1
0.528
SEA-TRI-146a67b6-1
0.528
JOH-IMS-1436231f-6
0.527
AAR-POS-0daf6b7e-29
0.527
ANT-OPE-d972fbad-1
0.526
SAD-SAT-b55127ae-4
0.517
SAD-SAT-c989feaa-6
0.514
SAD-SAT-c989feaa-7
0.514
MED-COV-4280ac29-14
0.508
SAD-SAT-2ceae68f-8
0.500
ANT-OPE-c0c3e7cc-1
0.500
MAT-POS-4e253971-2
0.493
MAK-UNK-10dfa458-1
0.492
MAK-UNK-10dfa458-14
0.468
MED-COV-4280ac29-13
0.463
ERI-UCB-a0b0dbcb-12
0.462
MAK-UNK-10dfa458-2
0.459
SAD-SAT-7d5528d9-21
0.448
MAK-UNK-10dfa458-8
0.448
AAR-POS-d2a4d1df-24
0.444
SAD-SAT-b55127ae-10
0.444
DRR-IMP-38dce17f-2
0.438
DAN-LON-a5fc619e-4
0.437
MAT-POS-ee51dedd-1
0.433
AHN-SAT-02ef6d10-6
0.429
JOO-IND-6372a4f3-4
0.426
DAN-LON-a5fc619e-10
0.425
PAT-UNK-b2d83456-2
0.424
JOK-SYG-18591e8f-1
0.418
SAD-SAT-7d5528d9-6
0.418
PAT-UNK-b2d83456-1
0.415
MED-COV-4280ac29-32
0.414
DAN-LON-a5fc619e-1
0.414
DAN-LON-a5fc619e-2
0.414
DAN-LON-a5fc619e-5
0.413
SAD-SAT-7d5528d9-7
0.412
AVI-UNI-c9bf710f-1
0.412
SEA-TRI-98d2cd42-1
0.412
SAD-SAT-7d5528d9-18
0.408
ASH-SAT-43770c7d-3
0.406
MED-COV-4280ac29-2
0.403
AVI-UNI-70b60925-1
0.402
SAD-SAT-7d5528d9-49
0.397
MAK-UNK-af83ef51-10
0.397
JOH-UNI-0e1753c1-5
0.395
DAN-LON-a5fc619e-3
0.395
SAD-SAT-7d5528d9-15
0.395
SAD-SAT-f0a2747f-6
0.394
SAD-SAT-7d5528d9-24
0.392
JOH-UNI-0e1753c1-4
0.390
SAD-SAT-7d5528d9-11
0.390
MAK-UNK-cd94b63c-1
0.390
MAK-UNK-176ca439-3
0.390
MAK-UNK-10dfa458-7
0.390
PAU-UNI-8cdd41c7-1
0.387
SAD-SAT-c989feaa-3
0.387
DAN-LON-a5fc619e-8
0.386
WIL-LEE-23e8b574-3
0.386
STU-CHA-128b80be-2
0.386
SAD-SAT-c989feaa-5
0.382
MAK-UNK-7c9d1431-24
0.377
DRR-IMP-38dce17f-3
0.377
JAN-GHE-1d98ec1c-8
0.375
SAD-SAT-7d5528d9-35
0.373
DAN-LON-a5fc619e-6
0.372
DAN-LON-a5fc619e-9
0.372
MAK-UNK-849bee6c-9
0.372
JAN-GHE-6413aaf8-9
0.372
PAT-UNK-b2d83456-3
0.371
MAK-UNK-7c9d1431-29
0.371
SAD-SAT-7d5528d9-13
0.370
VIT-UNK-2a0afa28-3
0.370
TOB-UNK-c2aba166-2
0.368
DAN-LON-a5fc619e-7
0.367
JAN-GHE-1d98ec1c-2
0.366
MAK-UNK-6ca90168-16
0.364
MAK-UNK-10dfa458-10
0.362
MAK-UNK-176ca439-2
0.361
KIM-UNI-2ee5d8f9-1
0.359
MAK-UNK-849bee6c-7
0.359
SAD-SAT-581007d4-2
0.358
SAD-SAT-581007d4-1
0.358
SAD-SAT-581007d4-7
0.358
MAT-POS-2db6411e-2
0.358
MAK-UNK-6ca90168-2
0.357
JAN-GHE-6413aaf8-5
0.357
MAK-UNK-10dfa458-45
0.356
MAT-POS-2db6411e-1
0.354