Molecular Properties | |
SMILES: | O=C(CCN1Cc2ccccc2C1=O)Nc1cccnc1 |
MW: | 281.12 |
Fraction sp3: | 0.19 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 62.3 |
cLogP: | 2.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6362668240 |
MolPort: | MolPort-008-349-635 |
MAR-TRE-74c6519b-58
0.553
MAR-TRE-3e4e6814-100
0.464
MAR-TRE-f6f5f473-31
0.453
LON-WEI-b2874fec-25
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MAR-TRE-2fd8122f-72
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ALE-HEI-f28a35b5-14
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MAR-TRE-74c6519b-63
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MAR-TRE-4b834d9a-31
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MAR-TRE-04c86cea-5
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MAR-TRE-4b834d9a-77
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MAR-TRE-3e4e6814-61
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MAR-TRE-67513f76-81
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MAR-TRE-04c86cea-97
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MAR-TRE-4b834d9a-82
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MAR-TRE-fd17a9b8-39
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KEI-TRE-d5e2018a-68
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MAR-TRE-3e4e6814-27
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MAK-UNK-ca11b4f7-1
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JOH-IMS-62aeb97d-5
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SAN-PRS-52b81272-2
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MAR-TRE-04c86cea-87
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MAR-TRE-d0525fbf-33
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MAR-TRE-9c797165-87
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MAR-TRE-2fd8122f-54
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MAR-TRE-3e4e6814-50
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DAR-DIA-842b4336-11
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MAR-TRE-b77b7921-78
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AUS-ARG-7cfdce8f-11
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MAR-TRE-74c6519b-54
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MAR-TRE-9c797165-31
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MAR-TRE-2fd8122f-63
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MAR-TRE-9c797165-57
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MAR-TRE-4b834d9a-97
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MAR-TRE-2fd8122f-62
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MAR-TRE-9c797165-52
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MAR-TRE-d0525fbf-75
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EDG-MED-0da5ad92-2
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PAU-UNI-b33c5197-1
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MAR-TRE-3e4e6814-47
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MAR-TRE-2fd8122f-3
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ALB-THE-e2bfce8e-1
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MAR-TRE-2fd8122f-80
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MAR-TRE-f6f5f473-2
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MAR-TRE-9c797165-95
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ALE-HEI-f28a35b5-16
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MAR-TRE-7f7bb9f0-30
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MAR-TRE-3e4e6814-93
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MAR-TRE-b77b7921-91
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CHA-MCP-85291e1d-4
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DAR-DIA-842b4336-10
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SAD-SAT-24589cd1-4
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KEI-TRE-d5e2018a-92
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MAR-TRE-74c6519b-81
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MAK-UNK-a7b37c5e-1
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AAR-POS-d2a4d1df-13
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ALE-HEI-f28a35b5-9
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FRA-FAC-9ed5a63a-1
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MAR-TRE-b77b7921-77
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TAM-UNI-c140e31a-13
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SAD-SAT-cefd50cc-1
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MAR-TRE-7f7bb9f0-56
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CHR-SOS-59746812-1
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MAR-TRE-67513f76-87
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MAR-TRE-2fd8122f-91
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KEI-TRE-d5e2018a-37
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MAR-TRE-04c86cea-93
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MAR-TRE-4b834d9a-45
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DAR-DIA-842b4336-2
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MAK-UNK-a7b37c5e-4
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MAR-TRE-7f7bb9f0-38
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GER-FIO-88d97d8c-1
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MED-UNK-e6e8ef8a-6
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MED-UNK-e6e8ef8a-5
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DAR-DIA-842b4336-13
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CHR-SOS-70e4c98a-6
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CHR-SOS-59746812-5
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MAR-TRE-67513f76-13
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MAR-TRE-b77b7921-80
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MAR-TRE-3e4e6814-59
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MAR-TRE-9c797165-48
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MAR-TRE-9c797165-60
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MAR-TRE-9c797165-12
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MAR-TRE-7f7bb9f0-82
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MAR-TRE-2fd8122f-93
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TAM-UNI-c140e31a-7
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MAR-TRE-7f7bb9f0-15
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MAK-UNK-a7b37c5e-5
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MED-UNK-e6e8ef8a-3
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MAK-UNK-a7b37c5e-2
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MAR-TRE-2fd8122f-41
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FRA-FAC-9ed5a63a-2
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MED-UNK-e6e8ef8a-2
0.350
CHR-SOS-f7373dd1-4
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CHR-SOS-59746812-2
0.349
MAR-TRE-7f7bb9f0-46
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MAR-TRE-67513f76-73
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MAR-TRE-74c6519b-47
0.349
MAR-TRE-3e4e6814-67
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MAR-TRE-67513f76-92
0.348
AAR-POS-d2a4d1df-11
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