Molecular Properties | |
SMILES: | O=C(CCl)N1CCN(c2ncccn2)CC1 |
MW: | 240.694 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 49.33 |
cLogP: | 0.364 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-31273 |
Enamine REAL: | Z1562118896 |
Enamine Extended REAL: | m_270062____7595030____8147258 |
Mcule: | MCULE-6225826220 |
MolPort: | MolPort-002-469-869 |
AAR-POS-d2a4d1df-1
MAR-TRE-6a44bbf2-87
1.000
VIK-SYN-9a3d118a-4
1.000
SAD-SAT-5b1897b2-3
0.538
SAD-SAT-5b1897b2-8
0.482
SAD-SAT-5b1897b2-1
0.481
NIM-UNI-310206f0-5
0.469
SAD-SAT-1b030f84-9
0.462
DRR-IMP-38dce17f-5
0.446
NIM-UNI-310206f0-23
0.443
SAD-SAT-5b1897b2-10
0.436
MAK-UNK-52a1ef4b-1
0.431
RED-RED-10c9212c-41
0.431
MAK-UNK-6ca90168-10
0.429
SAD-SAT-65574d3f-9
0.429
SWA-SYN-6423ea73-6
0.426
SWA-SYN-d2e6fa14-6
0.426
MAT-POS-162a9720-4
0.426
MAR-TRE-799db12b-17
0.425
NIM-UNI-310206f0-12
0.423
SAD-SAT-5b1897b2-4
0.421
SAD-SAT-3a925b8b-4
0.418
NIM-UNI-310206f0-20
0.417
NIM-UNI-310206f0-6
0.414
NIM-UNI-310206f0-32
0.411
NIM-UNI-310206f0-13
0.411
MAR-TRE-dab8f6ea-30
0.409
NIM-UNI-310206f0-1
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AAR-POS-0daf6b7e-18
0.404
AAR-POS-0daf6b7e-21
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MAT-POS-162a9720-5
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NIM-UNI-310206f0-11
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NIM-UNI-310206f0-4
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VIK-SYN-bf9c9ac8-6
0.393
AAR-POS-d2a4d1df-28
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VIK-SYN-9a3d118a-2
0.393
DRR-IMP-38dce17f-6
0.393
MAK-UNK-704ed37c-11
0.391
NIM-UNI-310206f0-3
0.391
DRR-IMP-38dce17f-4
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PEI-IMP-ca0b2813-2
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NIM-UNI-310206f0-18
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NIL-NON-a189c016-1
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MAT-POS-162a9720-2
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NIM-UNI-310206f0-22
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NIM-UNI-310206f0-24
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NIM-UNI-310206f0-14
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SAD-SAT-3a925b8b-3
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MAK-UNK-987948f6-2
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MAK-UNK-7c9d1431-24
0.382
DRR-IMP-38dce17f-3
0.382
MAR-TRE-6a44bbf2-41
0.381
NIM-UNI-310206f0-15
0.380
NIM-UNI-310206f0-43
0.380
NIM-UNI-310206f0-41
0.375
MAR-TRE-dab8f6ea-15
0.373
AAR-POS-0daf6b7e-17
0.373
LON-WEI-8f408cad-5
0.373
PEI-IMP-ca0b2813-1
0.371
NIM-UNI-310206f0-7
0.369
AAR-POS-d2a4d1df-29
0.368
MAR-TRE-6a44bbf2-61
0.368
PAU-UNI-8cdd41c7-1
0.368
SIM-SYN-f15aaa3a-1
0.368
MAK-UNK-987948f6-5
0.367
MAK-UNK-6ca90168-16
0.367
MAK-UNK-d4768348-4
0.367
NIM-UNI-310206f0-28
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MAR-TRE-dab8f6ea-44
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MAK-UNK-4b073b5c-16
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MAK-UNK-af83ef51-1
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WAR-XCH-79d12f6e-9
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DUN-NEW-f8ce3686-3
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AAR-POS-0daf6b7e-16
0.362
SAD-SAT-bc31ec01-2
0.362
NIM-UNI-310206f0-16
0.361
NIM-UNI-310206f0-19
0.361
MAK-UNK-7c9d1431-20
0.361
MAK-UNK-6ca90168-4
0.361
AHN-SAT-de2502ba-14
0.361
SAD-SAT-65574d3f-1
0.361
MAK-UNK-6ca90168-18
0.360
MAK-UNK-6ca90168-17
0.360
MAK-UNK-704ed37c-12
0.360
AHN-SAT-de2502ba-3
0.359
MAR-TRE-6a44bbf2-29
0.359
NIM-UNI-310206f0-8
0.358
NIM-UNI-310206f0-2
0.357
MAK-UNK-95198336-3
0.357
DRR-IMP-dff87f5e-4
0.356
MAK-UNK-7c9d1431-9
0.356
MAR-TRE-6a44bbf2-21
0.356
AHN-SAT-de2502ba-7
0.356
DRR-IMP-38dce17f-1
0.356
GIA-UNK-20b63697-7
0.355
MAK-UNK-6ca90168-9
0.355
MAR-TRE-dab8f6ea-49
0.354
SAD-SAT-1b030f84-8
0.353
NIM-UNI-310206f0-17
0.353
MAK-UNK-987948f6-4
0.353
MAK-UNK-704ed37c-10
0.353