Molecular Properties | |
SMILES: | O=C(CCl)N1N=C(c2ccco2)CC1c1cccs1 |
MW: | 294.02 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 45.81 |
cLogP: | 3.26 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-11643 |
Enamine SCR: | Z57055805 |
Mcule: | MCULE-9700454241 |
MolPort: | MolPort-002-467-923 |
AAR-POS-d2a4d1df-1
NIM-UNI-13494739-9
0.615
NIM-UNI-13494739-5
0.560
UNK-UNK-2ede4078-67
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JOH-MR_-42fa5481-9
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NIM-UNI-13494739-10
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NIM-UNI-13494739-2
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UNK-UNK-2ede4078-77
0.418
NIM-UNI-13494739-11
0.410
MAR-LAB-efb042c5-4
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NIM-UNI-13494739-12
0.400
TAT-ENA-80bfd3e5-15
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MAT-POS-916a2c5a-1
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UNK-UNK-2ede4078-68
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TAT-ENA-80bfd3e5-9
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NIM-UNI-13494739-4
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NIM-UNI-13494739-8
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MAR-LAB-efb042c5-1
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JOH-MR_-42fa5481-11
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JOH-MR_-42fa5481-10
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MAT-POS-b5746674-89
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MAR-LAB-ff9967db-36
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NIM-UNI-13494739-7
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JOH-MR_-42fa5481-3
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TAT-ENA-80bfd3e5-17
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MED-COV-4280ac29-30
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TAT-ENA-80bfd3e5-45
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MAT-POS-fa06b69f-7
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MAR-LAB-efb042c5-3
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DAN-LON-a5fc619e-9
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TAT-ENA-80bfd3e5-5
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JOH-MR_-42fa5481-13
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JOH-MR_-42fa5481-12
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MAR-TRE-6a44bbf2-96
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NIM-UNI-13494739-3
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AAR-POS-d2a4d1df-29
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AAR-POS-0daf6b7e-16
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MAR-TRE-6a44bbf2-1
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LON-WEI-8f408cad-5
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AAR-POS-0daf6b7e-17
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JOH-MR_-42fa5481-5
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JOH-MR_-42fa5481-7
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MAT-POS-b5746674-94
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SAD-SAT-f0a2747f-10
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JOH-MR_-42fa5481-14
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JOH-MR_-42fa5481-4
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MAR-TRE-6a44bbf2-82
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AAR-POS-d2a4d1df-22
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MAR-TRE-6a44bbf2-52
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LON-WEI-8f408cad-3
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NAU-LAT-64f4b287-5
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BEN-DND-76ad4ac9-1
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MAR-TRE-36bf7dba-54
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THO-SYG-f9b2970d-4
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MAK-UNK-987948f6-8
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MAK-UNK-3f402c2b-1
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TAT-ENA-80bfd3e5-18
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LON-WEI-120e5cf5-5
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MAT-POS-b5746674-95
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NAU-LAT-64f4b287-3
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JOH-MR_-42fa5481-1
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MAK-UNK-5d2caa6f-7
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UNK-UNK-2ede4078-58
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SAD-SAT-d8079f6f-1
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MAR-TRE-6a44bbf2-92
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MAK-UNK-3e0761f8-5
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JOH-MR_-42fa5481-2
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SAD-SAT-3a925b8b-5
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RAF-UNK-9885c2f5-1
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JOH-MR_-42fa5481-8
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BEN-DND-03406596-5
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BEN-DND-76ad4ac9-13
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MAK-UNK-3e0761f8-8
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MAR-TRE-36bf7dba-82
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MAR-TRE-87acfbcc-28
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MAR-TRE-6a44bbf2-77
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NAU-LAT-64f4b287-4
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MIK-MCD-8542a490-1
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THO-SYG-f9b2970d-3
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MAT-POS-b5746674-92
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GIA-UNK-20b63697-9
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MAK-UNK-3e0761f8-2
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GIA-UNK-20b63697-5
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JOH-MR_-42fa5481-6
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GIA-UNK-20b63697-2
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MAK-UNK-10dfa458-2
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LON-WEI-120e5cf5-13
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TAT-ENA-80bfd3e5-16
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YOI-UNK-a533afbc-1
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YOI-UNK-12211982-1
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LON-WEI-120e5cf5-10
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SAD-SAT-f2e2579e-8
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