Molecular Properties | |
SMILES: | O=C(Cc1ccsc1)Nc1cccnc1 |
MW: | 218.281 |
Fraction sp3: | 0.09 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 41.99 |
cLogP: | 2.3243 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z31791777 |
Enamine Extended REAL: | s_22____57778____59030 |
Mcule Ultimate: | CWWYHQUKLDIKAR-UHFFFAOYSA-N |
MolPort: | MolPort-047-312-520 |
SAN-PRS-52b81272-2
0.593
SAD-SAT-24589cd1-4
0.582
MAK-UNK-a7b37c5e-4
0.571
MAK-UNK-a7b37c5e-5
0.561
DAR-DIA-23aa0b97-16
0.542
MAR-TRE-67513f76-81
0.540
DAR-DIA-842b4336-11
0.533
EDG-MED-0da5ad92-2
0.533
MAK-UNK-ca11b4f7-1
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JOH-IMS-62aeb97d-5
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MAK-UNK-c749d764-17
0.517
MAR-TRE-4b834d9a-59
0.514
DAR-DIA-842b4336-1
0.509
DAR-DIA-842b4336-12
0.508
ALE-HEI-f28a35b5-5
0.508
DAR-DIA-842b4336-13
0.508
MIH-UNI-6b9ca91a-1
0.500
MAK-UNK-a7b37c5e-2
0.500
ANN-UNI-26382800-5
0.492
DAR-DIA-23aa0b97-17
0.492
MAK-UNK-c749d764-27
0.492
MAK-UNK-a7b37c5e-1
0.492
CHA-MCP-85291e1d-2
0.485
DAR-DIA-842b4336-14
0.484
CHA-MCP-85291e1d-5
0.478
DAR-DIA-842b4336-16
0.476
MAR-TRE-2fd8122f-99
0.471
ALE-HEI-f28a35b5-14
0.466
MAR-TRE-2fd8122f-23
0.461
AUS-ARG-7cfdce8f-11
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CHA-MCP-85291e1d-1
0.457
MAK-UNK-c749d764-13
0.456
MAK-UNK-c749d764-14
0.456
MAK-UNK-009ebe36-10
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MAR-TRE-67513f76-13
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DAR-DIA-842b4336-15
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KAL-WAB-eb347ebe-1
0.448
MAR-TRE-2fd8122f-26
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MAR-TRE-2fd8122f-66
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MAK-UNK-c749d764-23
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MED-UNK-e6e8ef8a-5
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MAR-TRE-d0525fbf-91
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MAR-TRE-2fd8122f-53
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MAR-TRE-3e4e6814-79
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MAR-TRE-74c6519b-55
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MAR-TRE-2fd8122f-39
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MAR-TRE-74c6519b-47
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CHR-SOS-f7373dd1-5
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MAR-TRE-2fd8122f-37
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MAR-TRE-9c797165-94
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FRA-FAC-9ed5a63a-1
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AAR-POS-d2a4d1df-13
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ALE-HEI-f28a35b5-9
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MAR-TRE-67513f76-22
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MAR-TRE-3e4e6814-50
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MAK-UNK-d1e89583-1
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MAK-UNK-ca11b4f7-2
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MAK-UNK-ca11b4f7-3
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MED-UNK-e6e8ef8a-4
0.418
MED-UNK-e6e8ef8a-6
0.415
AAR-POS-d2a4d1df-11
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CHR-SOS-f7373dd1-2
0.412
MAK-UNK-d1e89583-3
0.412
MED-UNK-e6e8ef8a-2
0.409
FRA-FAC-9ed5a63a-2
0.409
MED-UNK-e6e8ef8a-3
0.409
MAR-TRE-f6f5f473-95
0.408
MAK-UNK-d1e89583-7
0.406
MAR-TRE-7f7bb9f0-46
0.406
CHR-SOS-59746812-2
0.406
CHR-SOS-f7373dd1-4
0.406
WIL-UNI-5578df48-15
0.406
MAR-TRE-67513f76-69
0.405
MAR-TRE-7f7bb9f0-74
0.403
MAR-TRE-7f7bb9f0-49
0.403
MAR-TRE-04c86cea-97
0.400
CHR-SOS-59746812-6
0.400
MAR-TRE-7f7bb9f0-56
0.397
MAR-TRE-67513f76-93
0.397
MAK-UNK-d1e89583-5
0.397
MAR-TRE-2fd8122f-32
0.395
MAR-TRE-9c797165-14
0.395
CHR-SOS-f7373dd1-1
0.394
MAR-TRE-67513f76-87
0.394
CHR-SOS-59746812-1
0.394
MAR-TRE-9c797165-52
0.394
ALE-HEI-f28a35b5-15
0.393
MAR-TRE-2fd8122f-94
0.392
MAR-TRE-04c86cea-41
0.392
MAR-TRE-2fd8122f-78
0.391
CHR-SOS-70e4c98a-6
0.391
MAR-TRE-2fd8122f-57
0.391
MAR-TRE-2fd8122f-60
0.389
CHR-SOS-59746812-5
0.389
MAR-TRE-b77b7921-80
0.387
MAR-TRE-67513f76-73
0.386
MAR-TRE-4b834d9a-31
0.384
CHA-MCP-85291e1d-4
0.384
MAR-TRE-3e4e6814-62
0.384
MAR-TRE-b77b7921-91
0.384