Molecular Properties | |
SMILES: | O=C(CCc1ccccc1)NC1CCN(C(=O)CCl)CC1 |
MW: | 308.13 |
Fraction sp3: | 0.5 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 49.41 |
cLogP: | 1.97 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7783035701 |
MolPort: | MolPort-020-165-978 |
AAR-POS-0daf6b7e-5
0.574
MAK-UNK-15efde89-1
0.448
MAK-UNK-af83ef51-2
0.435
DUN-NEW-f8ce3686-25
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LON-WEI-120e5cf5-15
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MAR-TRE-6a44bbf2-86
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MAK-UNK-6ca90168-11
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DRR-IMP-38dce17f-3
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MAK-UNK-7c9d1431-24
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MAK-UNK-10dfa458-39
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NIR-THE-0d6461ce-1
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LON-WEI-120e5cf5-5
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SAD-SAT-29425be4-29
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AHN-SAT-de2502ba-1
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MAK-UNK-212f693e-13
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SIM-SYN-7db9eb24-1
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MAK-UNK-7c9d1431-23
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MAR-TRE-6a44bbf2-28
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PAU-WEI-b9b69149-1
0.370
WAR-XCH-79d12f6e-4
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MAR-TRE-6a44bbf2-15
0.370
AAR-POS-0daf6b7e-6
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AHN-SAT-de2502ba-7
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MAR-TRE-6a44bbf2-21
0.368
MAK-UNK-7c9d1431-9
0.368
NIR-THE-0d6461ce-9
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PAU-WEI-c6d65c11-1
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GIA-UNK-a79af1bc-1
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LON-WEI-120e5cf5-12
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BEN-DND-76ad4ac9-9
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BEN-DND-03406596-1
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WAR-XCH-79d12f6e-5
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MAK-UNK-af83ef51-6
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YOI-UNK-12211982-6
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MAK-UNK-6c8f5f75-1
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YOI-UNK-a533afbc-6
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MAK-UNK-987948f6-2
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SEL-UNI-cd366922-5
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GIA-UNK-20b63697-2
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SAD-SAT-d8079f6f-4
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PAU-WEI-b9b69149-4
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MAK-UNK-750cfbcc-3
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MAR-TRE-6a44bbf2-79
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DRA-CSI-47e38074-3
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LON-WEI-120e5cf5-20
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MAK-UNK-987948f6-15
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LON-WEI-120e5cf5-16
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GIA-UNK-20b63697-6
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GIA-UNK-20b63697-8
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SIM-SYN-f15aaa3a-1
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BEN-DND-76ad4ac9-4
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MED-COV-4280ac29-17
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VIR-GIT-7b3d3065-2
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MAK-UNK-10dfa458-40
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LON-WEI-120e5cf5-10
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AAR-POS-0daf6b7e-9
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SAD-SAT-29425be4-23
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MAK-UNK-212f693e-32
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MAK-UNK-750cfbcc-5
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NIR-THE-0d6461ce-5
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NIR-THE-0d6461ce-7
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SAD-SAT-29425be4-4
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SAD-SAT-29425be4-15
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MED-COV-4280ac29-8
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MED-COV-4280ac29-25
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GIA-UNK-20b63697-4
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GIA-UNK-20b63697-5
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SAD-SAT-c989feaa-4
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GIA-UNK-20b63697-3
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NIM-UNI-43fe0159-4
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GIA-UNK-20b63697-7
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GIA-UNK-5ec6c2b8-5
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MAK-UNK-750cfbcc-2
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MAK-UNK-750cfbcc-1
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YOI-UNK-15f562e8-1
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AAR-UNI-c25c2f1e-68
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LON-WEI-120e5cf5-19
0.325
STE-KUL-2e0d2e88-7
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MAK-UNK-c97f7c8f-1
0.325
NIM-UNI-43fe0159-6
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MAR-TRE-0fda4e82-52
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GIA-UNK-3f36037a-6
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DAN-MCD-34fd4f29-1
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AAR-POS-5507155c-2
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MAK-UNK-3d7e3904-3
0.321
LON-WEI-120e5cf5-17
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LON-WEI-120e5cf5-1
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AAR-POS-f650c5f2-4
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MAK-UNK-3d7e3904-2
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LON-WEI-120e5cf5-11
0.321
WAR-XCH-79d12f6e-7
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MAK-UNK-a7992eb3-2
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AAR-POS-d2a4d1df-29
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NEL-UNI-1464a899-4
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MAR-TRE-6a44bbf2-61
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DRA-CSI-47e38074-2
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LON-WEI-120e5cf5-14
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MAR-TRE-6a44bbf2-53
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MAK-UNK-7c9d1431-25
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MAK-UNK-c97f7c8f-2
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