Molecular Properties | |
SMILES: | Cc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)Nc1cccnc1 |
MW: | 309.15 |
Fraction sp3: | 0.28 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 62.3 |
cLogP: | 2.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5325827385 |
MolPort: | MolPort-010-811-934 |
MAR-TRE-b77b7921-91
0.475
MAR-TRE-2fd8122f-63
0.444
MAR-TRE-b77b7921-52
0.442
MAR-TRE-2fd8122f-54
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KEI-TRE-d5e2018a-45
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MAR-TRE-2fd8122f-49
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JOH-IMS-62aeb97d-5
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KEI-TRE-d5e2018a-37
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MAR-TRE-2fd8122f-43
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MAR-TRE-4b834d9a-45
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MAR-TRE-2fd8122f-91
0.409
MAR-TRE-67513f76-73
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MAR-TRE-67513f76-81
0.403
KEI-TRE-d5e2018a-6
0.402
MAR-TRE-2fd8122f-9
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MAR-TRE-7f7bb9f0-84
0.402
MAR-TRE-4b834d9a-96
0.398
MAK-UNK-ca11b4f7-1
0.391
MAR-TRE-4b834d9a-31
0.388
TAM-UNI-c140e31a-12
0.387
SAD-SAT-24589cd1-4
0.387
MAR-TRE-9c797165-21
0.386
TAM-UNI-c140e31a-14
0.383
KEI-TRE-d5e2018a-26
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TAM-UNI-c140e31a-13
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MED-UNK-e6e8ef8a-6
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MAR-TRE-2fd8122f-78
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MAR-TRE-9c797165-60
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TAM-UNI-c140e31a-7
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WIL-UNI-1faa9b10-8
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MAR-TRE-67513f76-55
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MAK-UNK-c749d764-27
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TAM-UNI-c140e31a-6
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MAR-TRE-04c86cea-51
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KEI-TRE-d5e2018a-85
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MAK-UNK-c749d764-17
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KEI-TRE-d5e2018a-60
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MAR-TRE-67513f76-93
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MAR-TRE-3e4e6814-80
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MAR-TRE-3e4e6814-65
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DAR-DIA-842b4336-11
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ALE-HEI-f28a35b5-5
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DAR-DIA-842b4336-12
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CHR-SOS-70e4c98a-6
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TAM-UNI-c140e31a-1
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NAU-LAT-64f4b287-10
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ALE-HEI-f28a35b5-14
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KEI-TRE-d5e2018a-74
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MAR-TRE-2fd8122f-68
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MAR-TRE-d0525fbf-64
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WAR-XCH-eb7b662f-6
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MAR-TRE-3e4e6814-66
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MED-UNK-e6e8ef8a-3
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DAR-DIA-842b4336-16
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MAR-TRE-c317dd82-59
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SAN-PRS-52b81272-2
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MAR-TRE-7f7bb9f0-76
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MAR-TRE-7f7bb9f0-49
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CHR-SOS-f7373dd1-5
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CHA-MCP-85291e1d-2
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CHR-SOS-70e4c98a-8
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CHR-SOS-70e4c98a-1
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MAR-TRE-2fd8122f-98
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MAR-TRE-4b834d9a-16
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KEI-TRE-d5e2018a-7
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KEI-TRE-d5e2018a-67
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MAR-TRE-2fd8122f-30
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MAR-TRE-04c86cea-96
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ALE-HEI-f28a35b5-9
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DAR-DIA-23aa0b97-16
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MAK-UNK-a7b37c5e-1
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FRA-FAC-9ed5a63a-1
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AAR-POS-d2a4d1df-13
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MAK-UNK-c749d764-14
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MAR-TRE-9c797165-52
0.349
KEI-TRE-d5e2018a-14
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MAK-UNK-a7b37c5e-4
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MED-UNK-e6e8ef8a-5
0.346
EDG-MED-0da5ad92-2
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CHR-SOS-f7373dd1-2
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MAR-TRE-2fd8122f-57
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MAR-TRE-2fd8122f-60
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CHR-SOS-70e4c98a-3
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MAR-TRE-67513f76-13
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MAR-TRE-74c6519b-91
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KEI-TRE-d5e2018a-4
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MAK-UNK-a7b37c5e-5
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AUS-ARG-7cfdce8f-11
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FRA-FAC-9ed5a63a-2
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MED-UNK-e6e8ef8a-2
0.341
MAK-UNK-a7b37c5e-2
0.341
WAR-XCH-eb7b662f-5
0.341
CHR-SOS-f7373dd1-4
0.341
MAR-TRE-7f7bb9f0-46
0.341
MAR-TRE-04c86cea-81
0.341
MAK-UNK-c749d764-23
0.341
MAR-TRE-2fd8122f-37
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MAR-TRE-9c797165-94
0.341
MAR-TRE-74c6519b-54
0.341
MAR-TRE-74c6519b-66
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