Molecular Properties | |
SMILES: | O=C(O)CCc1nc2ccccc2[nH]1 |
MW: | 190.07 |
Fraction sp3: | 0.2 |
HBA: | 2 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 65.98 |
cLogP: | 1.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-13260 |
Enamine SCR: | Z57115077 |
Mcule: | MCULE-3731847757 |
MolPort: | MolPort-000-183-221 |
MAR-TRE-aca67d11-41
0.565
MAR-TRE-36bf7dba-66
0.515
AAR-POS-0daf6b7e-39
0.490
RED-RED-10c9212c-19
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AAR-UNI-c25c2f1e-52
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MAK-UNK-3ae66343-1
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SAD-SAT-f0a2747f-6
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AAR-UNI-c25c2f1e-41
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MAR-TRE-8a25d817-28
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MAR-TRE-14ce9fd6-30
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MAR-TRE-d3c2bf0e-16
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AAR-UNI-c25c2f1e-58
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GAB-REV-70cc3ca5-9
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MAR-TRE-87acfbcc-73
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ALP-UNI-ed5cdfd2-7
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MAR-TRE-423310b6-61
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AAR-UNI-c25c2f1e-57
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AAR-UNI-c25c2f1e-83
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GAB-REV-4a4e2ff3-3
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AAR-POS-0daf6b7e-25
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MAK-UNK-3ae66343-2
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MAR-TRE-1c920f6f-61
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SWA-SYN-40d44a84-1
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CAS-DEP-751a2458-2
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MAR-TRE-1c920f6f-65
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SWA-SYN-40d44a84-4
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MAR-TRE-14ce9fd6-40
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WIL-UNI-d4749f31-37
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MAR-TRE-9d18ae8c-20
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MAR-TRE-143fb005-37
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SEB-HKI-06b43755-1
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AAR-UNI-c25c2f1e-44
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MAR-TRE-143fb005-30
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COM-UCB-8c7d23dc-2
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COM-UCB-1ef4e90e-3
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JAR-KUA-672ec752-12
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SWA-SYN-40d44a84-5
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MAR-TRE-143fb005-25
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MAR-TRE-143fb005-31
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MAR-TRE-9c797165-12
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ALP-UNI-ed5cdfd2-2
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MAK-UNK-b1d4dcd7-1
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MAR-TRE-143fb005-19
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ALP-UNI-ed5cdfd2-1
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ALP-POS-a30bcdb4-1
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MAR-TRE-be9ff7d2-37
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ALP-POS-ddb41b15-9
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MAR-TRE-8a25d817-46
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ALP-POS-3fc1724e-8
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MAK-UNK-c749d764-30
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MAR-TRE-c8530538-50
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MAR-TRE-87acfbcc-62
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MAK-UNK-1ac43cfa-1
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MAR-TRE-c8530538-16
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JUA-UNI-a9dfaed1-5
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MAR-TRE-143fb005-14
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MAR-TRE-143fb005-28
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MAR-TRE-67513f76-97
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CAS-DEP-167c18e3-3
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MAT-POS-ea426761-13
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LON-WEI-5e7d1b3e-72
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MAR-TRE-143fb005-13
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MAK-UNK-a7992eb3-25
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MAR-TRE-143fb005-24
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JUA-UNI-b93289a4-5
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MAR-UCB-195bc32d-22
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MAR-TRE-8a25d817-26
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MAR-TRE-f5c2d31c-30
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NIM-UNI-bb9030bf-7
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AAR-UNI-c25c2f1e-28
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MAR-TRE-c8530538-86
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ALP-UNI-ed5cdfd2-4
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MAK-UNK-a7992eb3-4
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MAR-TRE-87acfbcc-39
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MAR-TRE-c8530538-10
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MAR-TRE-fd17a9b8-55
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MAR-TRE-c8530538-26
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MAR-TRE-fd17a9b8-39
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MAR-TRE-4b834d9a-82
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MAR-TRE-c8530538-92
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MAK-UNK-1bb0b7ee-5
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SAN-PRS-3c4a6997-2
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MAT-POS-ea426761-94
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