Molecular Properties | |
SMILES: | COc1ccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cn1 |
MW: | 346.15 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 78.91 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8322586969 |
MolPort: | MolPort-004-139-759 |
MAR-TRE-3e4e6814-39
0.742
MAR-TRE-3e4e6814-50
0.646
MAR-TRE-3e4e6814-87
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MAR-TRE-74c6519b-46
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MAR-TRE-3e4e6814-9
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MAR-TRE-67513f76-24
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MAR-TRE-67513f76-48
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MAR-TRE-74c6519b-67
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MAR-TRE-74c6519b-82
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MAR-TRE-b77b7921-18
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MAR-TRE-d0525fbf-99
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MAR-TRE-3e4e6814-74
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MAR-TRE-6a44bbf2-88
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MAR-TRE-b77b7921-15
0.354
MAK-UNK-90d0606b-10
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LON-WEI-120e5cf5-17
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AAR-POS-5507155c-2
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LON-WEI-120e5cf5-1
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AAR-POS-f650c5f2-4
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MAR-TRE-f6f5f473-4
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MAR-TRE-f6f5f473-39
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MAR-TRE-2fd8122f-100
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MAR-TRE-f6f5f473-73
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MAR-TRE-7f7bb9f0-99
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MAR-TRE-67513f76-44
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MAR-TRE-4b834d9a-89
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MAR-TRE-9c797165-95
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MAR-TRE-04c86cea-39
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MAR-TRE-74c6519b-12
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ANT-LOU-17aa1493-2
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MAR-TRE-9c797165-10
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CHA-MCP-85291e1d-4
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MAR-TRE-9c797165-70
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MAR-TRE-4b834d9a-75
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LIL-FNM-e1865f24-1
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MAR-TRE-67513f76-85
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MAR-TRE-04c86cea-75
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MAR-TRE-4b834d9a-58
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MAR-TRE-67513f76-14
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ANT-LOU-17aa1493-3
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MAR-TRE-67513f76-99
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MAR-TRE-74c6519b-69
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MAR-TRE-3e4e6814-31
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MAR-TRE-67513f76-97
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MAR-TRE-7f7bb9f0-45
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MAR-TRE-b77b7921-9
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KEI-TRE-d5e2018a-87
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KEI-TRE-d5e2018a-92
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MAR-UCB-f313ec4d-3
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MAR-TRE-3e4e6814-82
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MAR-TRE-fd17a9b8-63
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MAR-TRE-aca67d11-39
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MAR-TRE-f6f5f473-69
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LON-WEI-adc59df6-37
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MAR-TRE-9c797165-2
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KEI-TRE-d5e2018a-59
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EDG-MED-0da5ad92-13
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MAR-TRE-7f7bb9f0-14
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MAR-TRE-9c797165-12
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MAR-TRE-d0525fbf-82
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BEN-DND-93268d01-5
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MAR-TRE-d0525fbf-30
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MAR-TRE-2fd8122f-80
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MAR-TRE-3e4e6814-6
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MAR-TRE-4b834d9a-79
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ALP-POS-88a7a97e-41
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MAR-TRE-67513f76-90
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MAR-TRE-7f7bb9f0-90
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KEI-TRE-d5e2018a-54
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KEI-TRE-d5e2018a-95
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MAR-TRE-d0525fbf-92
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KEI-TRE-d5e2018a-18
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KEI-TRE-d5e2018a-33
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MAR-TRE-67513f76-87
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AAR-UNI-c25c2f1e-33
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MAT-POS-3b92565d-1
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RAL-THA-2d450e86-29
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MAT-POS-bbbbc21a-1
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MAR-TRE-2fd8122f-74
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ALE-HEI-f28a35b5-14
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MAR-TRE-f5c2d31c-97
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MAR-TRE-67513f76-55
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MAR-UCB-f313ec4d-1
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MAR-TRE-04c86cea-38
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MAR-TRE-74c6519b-63
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KEI-TRE-d5e2018a-93
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MAR-TRE-3724962b-16
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MAR-TRE-b77b7921-67
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KEI-TRE-d5e2018a-75
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MAR-TRE-7f7bb9f0-20
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MAR-TRE-3e4e6814-58
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MAR-TRE-04c86cea-84
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MAR-TRE-04c86cea-64
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MAR-TRE-f6f5f473-91
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MAR-TRE-74c6519b-85
0.250
JIN-POS-6dc588a4-18
0.250
KEI-TRE-d5e2018a-88
0.247
MAR-TRE-74c6519b-56
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MAR-TRE-2fd8122f-93
0.247
MAR-TRE-f6f5f473-76
0.247