Molecular Properties | |
SMILES: | CCn1cc(C)c(C(=O)O)c1CC(=O)Nc1cccnc1 |
MW: | 287.13 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 84.22 |
cLogP: | 2.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7449904453 |
MolPort: | MolPort-010-688-239 |
MAR-TRE-67513f76-13
0.657
JOH-IMS-62aeb97d-5
0.475
DAR-DIA-842b4336-11
0.471
SAN-PRS-52b81272-2
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MAK-UNK-a7b37c5e-2
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MAK-UNK-c749d764-27
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MAK-UNK-c749d764-17
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MAK-UNK-a7b37c5e-4
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MAK-UNK-ca11b4f7-1
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ALE-HEI-f28a35b5-5
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DAR-DIA-842b4336-12
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DAR-DIA-842b4336-16
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MAR-TRE-67513f76-81
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SAD-SAT-24589cd1-4
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MAK-UNK-a7b37c5e-1
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DAR-DIA-23aa0b97-16
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DAR-DIA-842b4336-13
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EDG-MED-0da5ad92-2
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MAK-UNK-a7b37c5e-5
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MAK-UNK-c749d764-14
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MAR-TRE-9c797165-14
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DAR-DIA-842b4336-10
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MAR-TRE-2fd8122f-37
0.418
DAR-DIA-842b4336-14
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MAK-UNK-c749d764-13
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MED-UNK-e6e8ef8a-3
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MAR-TRE-67513f76-73
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KAL-WAB-eb347ebe-1
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MAR-TRE-67513f76-22
0.400
AAR-POS-d2a4d1df-13
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ALE-HEI-f28a35b5-9
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FRA-FAC-9ed5a63a-1
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DUN-NEW-f8ce3686-9
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MAR-TRE-9c797165-52
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CHA-MCP-85291e1d-5
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MED-UNK-e6e8ef8a-6
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ALE-HEI-f28a35b5-14
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MAR-TRE-2fd8122f-30
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AUS-ARG-7cfdce8f-11
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MAR-TRE-74c6519b-55
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MAR-TRE-2fd8122f-99
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FRA-FAC-9ed5a63a-2
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MED-UNK-e6e8ef8a-2
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DAR-DIA-23aa0b97-17
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DAR-DIA-842b4336-15
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ANN-UNI-26382800-5
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MAK-UNK-c749d764-23
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MAR-TRE-7f7bb9f0-49
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CHA-MCP-85291e1d-2
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CHA-MCP-85291e1d-1
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MAR-TRE-67513f76-93
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MAR-TRE-7f7bb9f0-72
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MAR-TRE-2fd8122f-39
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MAR-TRE-f6f5f473-95
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MAR-TRE-2fd8122f-47
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THO-SYG-f9b2970d-2
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MAR-TRE-2fd8122f-78
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MAR-TRE-d0525fbf-91
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MAR-TRE-67513f76-69
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MAR-TRE-2fd8122f-46
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MAR-TRE-d0525fbf-84
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MAK-UNK-ca11b4f7-3
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KEI-TRE-d5e2018a-74
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MAR-TRE-d0525fbf-64
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MAR-TRE-7f7bb9f0-8
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AAR-POS-d2a4d1df-11
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MAR-TRE-74c6519b-47
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MAD-FNM-74857450-1
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MAR-TRE-9c797165-21
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MAR-TRE-67513f76-92
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MAR-TRE-7f7bb9f0-74
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THO-SYG-f9b2970d-1
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MAR-TRE-b77b7921-39
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KEI-TRE-d5e2018a-68
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JOH-IMS-62aeb97d-2
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KEI-TRE-d5e2018a-26
0.360
MAR-TRE-2fd8122f-94
0.360
MAR-TRE-04c86cea-41
0.360
MED-UNK-e6e8ef8a-4
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KEI-TRE-d5e2018a-14
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MAR-TRE-74c6519b-58
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KEI-TRE-d5e2018a-45
0.357
DAR-DIA-842b4336-2
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MED-UNK-e6e8ef8a-5
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CHR-SOS-70e4c98a-6
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NAU-LAT-64f4b287-10
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MAR-TRE-74c6519b-91
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MAR-TRE-2fd8122f-68
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MAR-TRE-9c797165-60
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MAR-TRE-3e4e6814-49
0.353
MAR-TRE-f6f5f473-52
0.353
SAD-SAT-cefd50cc-6
0.352
MAR-TRE-7f7bb9f0-53
0.352
MAR-TRE-7f7bb9f0-58
0.352
ALE-HEI-f28a35b5-16
0.351
DAR-DIA-842b4336-3
0.351
CHR-SOS-f7373dd1-4
0.350
MAK-UNK-d1e89583-9
0.350
CHR-SOS-59746812-2
0.350
MAR-TRE-4b834d9a-31
0.349