Molecular Properties | |
SMILES: | Cc1sc2nc(CSCC(=O)Nc3cccnc3)[nH]c(=O)c2c1C |
MW: | 360.07 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 87.74 |
cLogP: | 2.87 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6177799298 |
MolPort: | MolPort-008-353-209 |
MAR-TRE-04c86cea-96
0.616
MAR-TRE-f6f5f473-85
0.575
MAR-TRE-c8530538-80
0.538
MAR-TRE-c8530538-58
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MAR-TRE-04c86cea-71
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MAR-TRE-fd17a9b8-80
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JOH-IMS-62aeb97d-5
0.387
DAR-DIA-842b4336-12
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MAR-TRE-c8530538-34
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ALE-HEI-f28a35b5-5
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MAR-TRE-67513f76-81
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MAR-TRE-2fd8122f-80
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DAR-DIA-842b4336-3
0.357
AUS-ARG-7cfdce8f-11
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MAR-TRE-2fd8122f-93
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MAR-TRE-7f7bb9f0-53
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MAK-UNK-ca11b4f7-1
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MAR-TRE-67513f76-93
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MAR-TRE-9c797165-52
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DAR-DIA-842b4336-13
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MAR-TRE-2fd8122f-68
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MAR-TRE-c8530538-48
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DAR-DIA-842b4336-16
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MAR-TRE-67513f76-73
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MAK-UNK-c749d764-23
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MAR-TRE-c8530538-30
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MAR-TRE-7f7bb9f0-49
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KEI-TRE-d5e2018a-62
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SAD-SAT-24589cd1-4
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MED-UNK-e6e8ef8a-4
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MAR-TRE-67513f76-69
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MAR-TRE-1c920f6f-33
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MAR-TRE-2fd8122f-47
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MAR-TRE-3e4e6814-8
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TAM-UNI-c140e31a-10
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MAR-TRE-67513f76-22
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MAR-TRE-9c797165-12
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MAR-TRE-67513f76-13
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MAR-TRE-d0525fbf-91
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DAR-DIA-842b4336-11
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MED-UNK-e6e8ef8a-5
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MAR-TRE-b77b7921-39
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KEI-TRE-d5e2018a-51
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MAR-TRE-2fd8122f-45
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MAR-TRE-67513f76-92
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MAR-TRE-3e4e6814-62
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MAR-TRE-9c797165-94
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MAR-TRE-b77b7921-91
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MAR-TRE-74c6519b-47
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MED-UNK-e6e8ef8a-3
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MAK-UNK-a7b37c5e-5
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DAR-DIA-842b4336-4
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ALE-HEI-f28a35b5-14
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MAR-TRE-74c6519b-19
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MAR-TRE-9c797165-22
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MAR-TRE-74c6519b-35
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MAR-TRE-7f7bb9f0-72
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MAR-TRE-b77b7921-77
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MAR-TRE-04c86cea-41
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MAR-TRE-4b834d9a-96
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CHR-SOS-f7373dd1-6
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MAR-TRE-9c797165-8
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MAR-TRE-7f7bb9f0-90
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MAK-UNK-c749d764-27
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DAR-DIA-842b4336-10
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SAN-PRS-52b81272-2
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MAR-TRE-2fd8122f-49
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MAR-TRE-f6f5f473-46
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KEI-TRE-d5e2018a-45
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MAR-TRE-2fd8122f-79
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MAR-TRE-7f7bb9f0-56
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DAR-DIA-842b4336-14
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MAK-UNK-a7b37c5e-1
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MAK-UNK-c749d764-17
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MAR-TRE-9c797165-60
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MAR-TRE-d0525fbf-64
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CHR-SOS-f7373dd1-3
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MAR-TRE-2fd8122f-99
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MAR-TRE-74c6519b-91
0.316
DAR-DIA-842b4336-5
0.315
MED-UNK-e6e8ef8a-6
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MAR-TRE-04c86cea-51
0.314
MAK-UNK-a7b37c5e-4
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MAR-TRE-67513f76-97
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CHR-SOS-54d5cf3e-7
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MAR-TRE-9c797165-21
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MAR-TRE-67513f76-55
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MAR-TRE-b77b7921-53
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KEI-TRE-d5e2018a-77
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MAR-TRE-04c86cea-81
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KEI-TRE-d5e2018a-66
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MAR-TRE-2fd8122f-37
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MAR-TRE-4b834d9a-31
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MAR-TRE-3e4e6814-67
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MAR-TRE-74c6519b-54
0.312
MAR-TRE-7f7bb9f0-46
0.312
MAR-TRE-3e4e6814-93
0.312
MAR-TRE-2fd8122f-26
0.311
MED-UNK-e6e8ef8a-2
0.311
FRA-FAC-9ed5a63a-2
0.311