Molecular Properties | |
SMILES: | O=C(CCl)Nc1ccc2c(c1)OC1(CCCCC1)O2 |
MW: | 281.08 |
Fraction sp3: | 0.5 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 47.56 |
cLogP: | 3.3 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5332239863 |
MolPort: | MolPort-002-468-256 |
MAR-TRE-6a44bbf2-84
0.920
MAR-TRE-6a44bbf2-17
0.484
MAR-TRE-6a44bbf2-74
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MAR-TRE-6a44bbf2-95
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MAR-TRE-6a44bbf2-93
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SAD-SAT-6b5a89f0-8
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AHN-SAT-de2502ba-13
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MAR-TRE-6a44bbf2-83
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SWA-SYN-6423ea73-9
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IND-SYN-6c8299e8-8
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SWA-SYN-d2e6fa14-10
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AHN-SAT-de2502ba-5
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LON-WEI-8f408cad-1
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AAR-POS-0daf6b7e-11
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MAK-UNK-7a704a63-10
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AHN-SAT-de2502ba-6
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MAR-TRE-6a44bbf2-43
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SAD-SAT-6b5a89f0-10
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MAR-TRE-6a44bbf2-42
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MAR-TRE-6a44bbf2-89
0.292
AHN-SAT-de2502ba-4
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MAR-TRE-6a44bbf2-100
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MED-COV-4280ac29-10
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YOI-UNK-4c10088f-1
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MAT-POS-fa06b69f-2
0.282
TAT-ENA-80bfd3e5-7
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WAR-XCH-bdd24732-24
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MAR-TRE-6a44bbf2-72
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AAR-POS-d2a4d1df-38
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MAR-TRE-6a44bbf2-60
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MAR-TRE-6a44bbf2-88
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MAK-UNK-ca11b4f7-1
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MAR-TRE-6a44bbf2-10
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IND-SYN-6c8299e8-9
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MAR-TRE-6a44bbf2-59
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AAR-POS-0daf6b7e-20
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MAR-TRE-6a44bbf2-6
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MAR-TRE-6a44bbf2-16
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MAR-TRE-6a44bbf2-90
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AHN-SAT-de2502ba-17
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AHN-SAT-de2502ba-18
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MAK-UNK-f983951f-14
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MAK-UNK-f983951f-20
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MAR-TRE-6a44bbf2-19
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MAK-UNK-1e8f9e3c-5
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MAK-UNK-1e8f9e3c-3
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AHN-SAT-de2502ba-19
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MAK-UNK-72659d64-3
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MAR-TRE-6a44bbf2-51
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MAR-TRE-6a44bbf2-25
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AAR-POS-d2a4d1df-31
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CHR-SOS-59746812-5
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GIA-UNK-3f36037a-4
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CHR-SOS-f7373dd1-2
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AHN-SAT-de2502ba-16
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MED-UNK-e6e8ef8a-6
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SAD-SAT-6b5a89f0-1
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MAK-UNK-849bee6c-24
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CHR-SOS-59746812-6
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MAK-UNK-f983951f-15
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PET-SGC-d0156db4-2
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MAR-TRE-6a44bbf2-3
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CHR-SOS-f7373dd1-1
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MAK-UNK-1e8f9e3c-6
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MAR-TRE-6a44bbf2-11
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IND-SYN-6c8299e8-6
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NAU-LAT-e1818702-6
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EDG-MED-21720aac-1
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CHR-SOS-59746812-4
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CHR-SOS-70e4c98a-1
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AHN-SAT-de2502ba-10
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MAR-TRE-6a44bbf2-12
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IND-SYN-6c8299e8-10
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MAR-TRE-b77b7921-63
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MAR-TRE-6a44bbf2-85
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WAR-XCH-79d12f6e-8
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MAK-UNK-6ca90168-26
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CHR-SOS-b301fc01-1
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WAR-XCH-79d12f6e-7
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CHR-SOS-b301fc01-2
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MIC-UNK-4ce148f7-1
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CHR-SOS-59746812-1
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EDG-MED-21720aac-9
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EDG-MED-21720aac-11
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JAG-UCB-c61058a9-8
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MAR-TRE-6a44bbf2-47
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EDG-MED-21720aac-2
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CHR-SOS-f7373dd1-5
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WAR-XCH-79d12f6e-5
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CHR-SOS-b301fc01-3
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EDG-MED-fe7487f8-7
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GIA-UNK-3f36037a-2
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TAT-ENA-80bfd3e5-23
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CHA-KIN-ceadbd93-5
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MAK-UNK-987948f6-7
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MAK-UNK-5d2caa6f-12
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CHR-SOS-e960e883-1
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MAK-UNK-b2c98f02-6
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JAG-UCB-c61058a9-22
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MAR-TRE-6a44bbf2-76
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