Molecular Properties | |
SMILES: | Cc1sc2nc(CCNC(=O)CNc3cccnc3)[nH]c(=O)c2c1C |
MW: | 357.13 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 99.77 |
cLogP: | 1.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6473197020 |
MolPort: | MolPort-047-388-938 |
MAR-TRE-c8530538-58
0.578
MAR-TRE-f6f5f473-71
0.538
MAR-TRE-c8530538-34
0.473
MAR-TRE-c8530538-30
0.449
MAR-TRE-c8530538-48
0.439
MAR-TRE-c8530538-17
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MAR-TRE-c8530538-32
0.361
MAR-TRE-c8530538-54
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MAR-TRE-f6f5f473-85
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MAR-TRE-04c86cea-96
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DAR-DIA-842b4336-3
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MAR-TRE-c8530538-10
0.324
MAR-TRE-c8530538-65
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MAR-TRE-c8530538-35
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MAT-POS-ea426761-67
0.320
MAR-TRE-67513f76-93
0.319
MAR-TRE-fd17a9b8-80
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DAR-DIA-842b4336-12
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MAR-TRE-2fd8122f-80
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MAR-TRE-c8530538-2
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MAR-TRE-2fd8122f-93
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MAR-TRE-1c920f6f-33
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JOH-IMS-62aeb97d-5
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MAR-TRE-c8530538-29
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TAM-UNI-c140e31a-3
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MAR-TRE-7f7bb9f0-49
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MAR-TRE-f5c2d31c-16
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MAR-TRE-fd17a9b8-14
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MAR-TRE-67513f76-92
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MAR-TRE-b77b7921-77
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DAR-DIA-842b4336-13
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ALE-HEI-f28a35b5-5
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MAR-TRE-c8530538-79
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MAK-UNK-af83ef51-13
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MAR-TRE-c8530538-97
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MAR-TRE-c8530538-53
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MAK-UNK-ca11b4f7-1
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JOH-UNK-14e6adc5-5
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BEN-VAN-ed886787-1
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MAR-TRE-67513f76-69
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MAR-TRE-04c86cea-64
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CHA-MCP-85291e1d-1
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MAR-TRE-c8530538-39
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MAK-UNK-d1e89583-8
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DAR-DIA-842b4336-4
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MAR-TRE-c8530538-50
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MAR-TRE-04c86cea-51
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MAR-TRE-9c797165-12
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MAR-TRE-74c6519b-91
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MAR-TRE-2fd8122f-60
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MAR-TRE-67513f76-81
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ALE-HEI-f28a35b5-4
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MAR-TRE-85681e92-61
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MAR-TRE-04c86cea-41
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MAR-TRE-3e4e6814-62
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MAD-FNM-828af174-1
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MAR-TRE-3e4e6814-67
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MAR-TRE-04c86cea-81
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IAN-BAS-09a74a47-1
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MAR-TRE-c8530538-23
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MAR-TRE-c8530538-52
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MAR-TRE-3e4e6814-93
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MAR-TRE-b77b7921-74
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CHR-SOS-f7373dd1-6
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MAR-TRE-c8530538-90
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DAR-DIA-842b4336-16
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ALP-POS-305f6ec3-13
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MAR-TRE-74c6519b-12
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MAR-TRE-7f7bb9f0-53
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MAR-TRE-7f7bb9f0-90
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MAR-TRE-c8530538-18
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KEI-TRE-d5e2018a-45
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MAR-TRE-2fd8122f-2
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MAR-TRE-b77b7921-18
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MAR-TRE-67513f76-22
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MAR-TRE-b77b7921-39
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MAK-UNK-c749d764-27
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MAR-TRE-9c797165-52
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MAR-TRE-3e4e6814-8
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MAR-TRE-3e4e6814-49
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KEI-TRE-d5e2018a-55
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CHR-SOS-f7373dd1-3
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ALE-HEI-f28a35b5-15
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MAR-TRE-67513f76-97
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MAR-TRE-7f7bb9f0-56
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MAR-TRE-67513f76-13
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ADA-UNI-f8e79267-4
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BEN-VAN-c4cc60be-1
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MAK-UNK-a7b37c5e-1
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MAK-UNK-c749d764-17
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BEN-VAN-ed886787-3
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MAR-TRE-d0525fbf-91
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ALP-POS-305f6ec3-2
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MAR-TRE-74c6519b-54
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KEI-TRE-d5e2018a-42
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MAK-UNK-c749d764-23
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MAR-TRE-9c797165-57
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MAR-TRE-c8530538-69
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