Molecular Properties | |
SMILES: | O=C(CSc1nnnn1CCc1cccs1)Nc1cccnc1 |
MW: | 346.07 |
Fraction sp3: | 0.21 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 85.59 |
cLogP: | 2.1 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7685299979 |
MolPort: | MolPort-028-262-495 |
KEI-TRE-d5e2018a-51
0.398
MAR-TRE-67513f76-81
0.384
MED-UNK-e6e8ef8a-4
0.368
KEI-TRE-d5e2018a-62
0.366
MAK-UNK-ca11b4f7-1
0.355
JOH-IMS-62aeb97d-5
0.355
DAR-DIA-842b4336-10
0.341
MAR-TRE-b77b7921-78
0.340
FRA-FAC-9ed5a63a-1
0.337
AAR-POS-d2a4d1df-13
0.337
ALE-HEI-f28a35b5-9
0.337
MAR-TRE-67513f76-93
0.337
MAR-TRE-9c797165-52
0.337
MAR-TRE-f6f5f473-52
0.333
DAR-DIA-842b4336-13
0.333
MED-UNK-e6e8ef8a-5
0.333
MAR-TRE-2fd8122f-99
0.333
MAK-UNK-a7b37c5e-4
0.333
DAR-DIA-842b4336-11
0.333
DAR-DIA-842b4336-12
0.333
ALE-HEI-f28a35b5-5
0.333
MAR-TRE-d0525fbf-64
0.333
MAR-TRE-3e4e6814-28
0.330
CHR-SOS-b301fc01-3
0.330
AUS-ARG-7cfdce8f-11
0.329
ALE-HEI-f28a35b5-14
0.329
KEI-TRE-d5e2018a-66
0.327
SAN-PRS-52b81272-2
0.325
MAK-UNK-ca11b4f7-3
0.325
MAR-TRE-f6f5f473-71
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MAR-TRE-04c86cea-93
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MAR-TRE-2fd8122f-49
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MAR-TRE-2fd8122f-47
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DAR-DIA-842b4336-14
0.322
SAD-SAT-24589cd1-4
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MAR-TRE-f6f5f473-85
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KEI-TRE-d5e2018a-74
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NAU-LAT-64f4b287-10
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MAR-TRE-67513f76-13
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MAR-TRE-2fd8122f-78
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MED-UNK-e6e8ef8a-6
0.318
EDG-MED-0da5ad92-2
0.318
MAR-TRE-0fda4e82-56
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MED-UNK-e6e8ef8a-2
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FRA-FAC-9ed5a63a-2
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MED-UNK-e6e8ef8a-3
0.315
DAR-DIA-842b4336-16
0.315
MAK-UNK-a7b37c5e-5
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ALE-HEI-f28a35b5-16
0.314
MAR-TRE-b77b7921-34
0.314
KEI-TRE-d5e2018a-68
0.313
MAR-TRE-9c797165-57
0.313
CHR-SOS-59746812-3
0.313
MAR-TRE-2fd8122f-32
0.313
MAR-TRE-9c797165-8
0.312
MAR-TRE-04c86cea-97
0.312
MAR-TRE-3e4e6814-50
0.312
MAR-TRE-7f7bb9f0-49
0.311
CHR-SOS-f7373dd1-5
0.311
MAR-TRE-7f7bb9f0-74
0.311
MAR-TRE-04c86cea-64
0.311
CHR-SOS-59746812-4
0.310
DAR-DIA-842b4336-1
0.310
MAR-TRE-67513f76-87
0.309
MAR-TRE-7f7bb9f0-56
0.308
MAK-UNK-d1e89583-5
0.308
MAR-TRE-04c86cea-71
0.307
MAR-TRE-67513f76-22
0.307
MAR-TRE-3e4e6814-66
0.307
MAK-UNK-c749d764-17
0.307
DAR-DIA-23aa0b97-16
0.307
MAK-UNK-d1e89583-2
0.307
MAK-UNK-a7b37c5e-1
0.307
MAR-TRE-b77b7921-80
0.306
MAR-TRE-9c797165-48
0.306
MAR-TRE-9c797165-60
0.306
MAR-TRE-2fd8122f-72
0.306
MAR-TRE-7f7bb9f0-89
0.305
MAR-TRE-74c6519b-55
0.305
DUN-NEW-f8ce3686-9
0.305
CHR-SOS-f7373dd1-2
0.304
MAR-TRE-2fd8122f-57
0.304
MAR-TRE-4b834d9a-59
0.304
WIL-UNI-1faa9b10-8
0.303
KEI-TRE-d5e2018a-77
0.303
MAR-TRE-67513f76-55
0.303
MAR-TRE-9c797165-21
0.303
MAR-TRE-67513f76-92
0.303
MAR-TRE-b77b7921-53
0.303
MAK-UNK-d1e89583-1
0.302
MAR-TRE-9c797165-94
0.302
MAR-TRE-2fd8122f-37
0.302
MAR-TRE-4b834d9a-31
0.302
MAR-TRE-7f7bb9f0-50
0.302
MAR-TRE-04c86cea-96
0.302
MAK-UNK-d1e89583-9
0.301
MAR-TRE-67513f76-73
0.301
DAR-DIA-842b4336-15
0.301
ANN-UNI-26382800-5
0.301
CHR-SOS-f7373dd1-4
0.301