Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(Cc2ccccc2)CC1 |
MW: | 252.1 |
Fraction sp3: | 0.46 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 23.55 |
cLogP: | 1.57 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | BBV-417834 |
Enamine SCR: | Z204556694 |
Mcule: | MCULE-2667164690 |
MolPort: | MolPort-003-011-961 |
MAK-UNK-7c9d1431-24
1.000
MAK-UNK-7c9d1431-29
0.638
STE-KUL-2e0d2e88-7
0.632
AAR-POS-d2a4d1df-24
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DRR-IMP-38dce17f-6
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JOH-UNI-0e1753c1-3
0.608
HYO-UNK-49a60884-1
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AAR-POS-d2a4d1df-35
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MED-COV-4280ac29-15
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DRR-IMP-38dce17f-4
0.608
SAD-SAT-1f400d17-1
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DRR-IMP-38dce17f-7
0.588
MAK-UNK-6ca90168-14
0.588
MAK-UNK-15efde89-1
0.585
DRR-IMP-38dce17f-2
0.585
MAK-UNK-af83ef51-1
0.579
MAK-UNK-212f693e-8
0.569
LON-WEI-8f408cad-7
0.569
AAR-POS-0daf6b7e-13
0.569
JIA-UNI-93b03cae-1
0.566
PAU-UNI-8cdd41c7-1
0.560
MAK-UNK-7c9d1431-28
0.558
DRR-IMP-38dce17f-5
0.558
JOK-SYG-18591e8f-1
0.554
MED-COV-4280ac29-8
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MED-COV-4280ac29-25
0.548
MAT-POS-ee51dedd-1
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DRR-IMP-38dce17f-1
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MAK-UNK-7c9d1431-20
0.537
AAR-POS-0daf6b7e-17
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LON-WEI-8f408cad-5
0.528
MAK-UNK-987948f6-2
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ANT-OPE-c0c3e7cc-1
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MAR-TRE-6a44bbf2-54
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MAK-UNK-7c9d1431-16
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MAK-UNK-7c9d1431-14
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MED-COV-4280ac29-19
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MAR-TRE-6a44bbf2-28
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SAD-SAT-581007d4-2
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SAD-SAT-65574d3f-1
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MAT-POS-2db6411e-2
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SAD-SAT-581007d4-1
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MAK-UNK-7c9d1431-23
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SAD-SAT-581007d4-7
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AHN-SAT-de2502ba-14
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MAK-UNK-7c9d1431-21
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AAR-POS-0daf6b7e-2
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MAR-TRE-66ac689e-34
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MAK-UNK-849bee6c-9
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SAD-SAT-5b1897b2-5
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AAR-POS-0daf6b7e-12
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MAR-LAB-ca4662a6-2
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JOH-UNI-27ac80fd-23
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DRA-CSI-47e38074-1
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AAR-POS-d2a4d1df-40
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MED-COV-4280ac29-31
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MAK-UNK-af83ef51-2
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AHN-SAT-de2502ba-15
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GIA-UNK-5ec6c2b8-3
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JOH-IMS-7e73aedd-4
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SEL-UNI-cd366922-6
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STE-KUL-2e0d2e88-1
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NEH-REV-107bcf72-5
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SAD-SAT-bc31ec01-1
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SIM-SYN-f15aaa3a-1
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AAR-POS-d2a4d1df-29
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MAR-TRE-6a44bbf2-61
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MIH-UNI-e573136b-5
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AHN-SAT-de2502ba-1
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MAK-UNK-10dfa458-39
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MAK-UNK-009ebe36-8
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MAK-UNK-849bee6c-7
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SAD-SAT-1b030f84-9
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PAU-UNI-b2b6b158-1
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MAK-UNK-7c9d1431-18
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SAD-SAT-581007d4-3
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SAD-SAT-581007d4-4
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MED-COV-4280ac29-33
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TAT-ENA-80bfd3e5-20
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AAR-POS-d2a4d1df-41
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TOB-UNK-c2aba166-1
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MAK-UNK-cd94b63c-1
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MAK-UNK-176ca439-3
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MAR-TRE-6a44bbf2-21
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MAK-UNK-7c9d1431-9
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AHN-SAT-de2502ba-7
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DAR-DIA-fb20be43-2
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TAM-UNI-d1c3dd9f-12
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SAD-SAT-5b1897b2-2
0.448
GIA-UNK-20b63697-7
0.448
ASH-SAT-43770c7d-5
0.448
PAU-UNI-19862c28-1
0.446
DAR-DIA-fb20be43-8
0.446
DAV-CRI-d1e0885a-1
0.443
STE-UNK-13e151dd-1
0.439
SEL-UNI-cd366922-7
0.439
MAK-UNK-849bee6c-6
0.438
MED-COV-4280ac29-1
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MAK-UNK-849bee6c-14
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WAR-XCH-79d12f6e-7
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