Molecular Properties | |
SMILES: | C=CC(=O)N1CCN(Cc2ccc(Cl)cc2)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 BB: | EN300-7531956 |
Enamine SCR: | Z1937756488 |
Enamine REAL: | Z1937756488 |
Mcule: | MCULE-1672965594 |
MolPort: | MolPort-044-592-666 |
AAR-POS-d2a4d1df-41
ANT-OPE-d972fbad-1
0.688
SAD-SAT-1f400d17-1
0.646
MAK-UNK-7c9d1431-29
0.612
MAK-UNK-6ca90168-13
0.593
SAD-SAT-581007d4-8
0.564
MAK-UNK-10dfa458-1
0.547
ANT-OPE-c0c3e7cc-1
0.526
SAD-SAT-b55127ae-4
0.518
AHN-SAT-02ef6d10-10
0.509
SAD-SAT-2ceae68f-8
0.500
MAK-UNK-10dfa458-2
0.482
MAK-UNK-10dfa458-8
0.468
SAD-SAT-b55127ae-10
0.466
JOH-UNI-0e1753c1-2
0.448
AHN-SAT-02ef6d10-6
0.448
MAT-POS-4e253971-2
0.448
JOO-IND-6372a4f3-4
0.422
TOB-UNK-c2aba166-2
0.412
SAD-SAT-f0a2747f-6
0.409
MED-COV-4280ac29-14
0.407
STU-CHA-128b80be-2
0.397
SAD-SAT-b55127ae-1
0.397
MAK-UNK-6ca90168-14
0.383
DRR-IMP-38dce17f-7
0.383
MAK-UNK-6ca90168-16
0.380
MAK-UNK-10dfa458-15
0.375
MAK-UNK-10dfa458-14
0.372
WIL-LEE-23e8b574-2
0.371
WIL-LEE-23e8b574-4
0.371
JIA-UNI-93b03cae-1
0.371
SAD-SAT-f0a2747f-9
0.369
MAK-UNK-7c9d1431-24
0.368
DRR-IMP-38dce17f-3
0.368
JOH-UNI-23d9e1b1-1
0.365
MAT-POS-2db6411e-1
0.365
MAK-UNK-10dfa458-7
0.365
JAN-GHE-6413aaf8-9
0.365
SEA-TRI-98d2cd42-1
0.357
JOH-UNI-27ac80fd-26
0.356
PAU-UNI-8cdd41c7-1
0.356
DRR-IMP-38dce17f-6
0.356
MAK-UNK-6ca90168-21
0.356
MED-COV-4280ac29-15
0.355
AAR-POS-d2a4d1df-35
0.355
HYO-UNK-49a60884-1
0.355
JOH-UNI-27ac80fd-3
0.355
JOH-UNI-0e1753c1-3
0.355
MAK-UNK-7c9d1431-21
0.354
MAK-UNK-10dfa458-9
0.354
MAK-UNK-10dfa458-13
0.353
JAN-GHE-bf40f168-9
0.351
KIM-UNI-2ee5d8f9-1
0.350
AHN-SAT-02ef6d10-2
0.348
MED-COV-4280ac29-32
0.348
NIR-THE-b7e8e081-1
0.343
SAD-SAT-6b5a89f0-9
0.341
AHN-SAT-02ef6d10-7
0.340
MAK-UNK-212f693e-6
0.339
MAK-UNK-10dfa458-18
0.339
JAG-SYN-9c2cd0bd-1
0.333
MAK-UNK-6ca90168-12
0.333
KIM-UNI-7d12df64-3
0.333
JAN-GHE-6413aaf8-5
0.333
JAN-GHE-6413aaf8-7
0.329
ANT-OPE-3756b28b-1
0.329
MAK-UNK-6ca90168-2
0.328
SAD-SAT-581007d4-2
0.328
SAD-SAT-581007d4-1
0.328
MAT-POS-2db6411e-2
0.328
SAD-SAT-581007d4-7
0.328
PEI-IMP-3d837503-2
0.328
JOH-UNI-0e1753c1-1
0.324
SAD-SAT-5b1897b2-5
0.324
JAG-SYN-9c2cd0bd-3
0.323
AAR-POS-0daf6b7e-13
0.323
MAK-UNK-212f693e-8
0.323
SAD-SAT-3a925b8b-10
0.323
LON-WEI-8f408cad-7
0.323
AHN-SAT-02ef6d10-3
0.323
MAK-UNK-6435e6c2-3
0.322
KRI-MAR-d2e3ef86-2
0.317
DRR-IMP-db50bf6e-3
0.317
SAD-SAT-c989feaa-7
0.316
SAD-SAT-c989feaa-6
0.316
JUL-TUD-06b2044f-85
0.315
MAK-UNK-10dfa458-10
0.313
JOH-UNI-27ac80fd-34
0.313
BEN-DND-03ad4429-7
0.312
MAK-UNK-10dfa458-4
0.312
DRR-IMP-38dce17f-4
0.312
DAV-IMP-59dd6621-23
0.308
ANT-OPE-e67e7ba0-1
0.308
AAR-POS-d2a4d1df-24
0.308
SAD-SAT-b55127ae-5
0.308
BEN-VAN-c986b20b-10
0.307
MAK-UNK-212f693e-7
0.306
MAK-UNK-7c9d1431-18
0.306
MAK-UNK-7c9d1431-14
0.304
MAK-UNK-7c9d1431-16
0.304
MAR-TRE-6a44bbf2-54
0.304