Molecular Properties | |
SMILES: | COc1cc(C2CC(c3cccs3)=NN2C(=O)CCl)ccc1OC(F)F |
MW: | 400.05 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 51.13 |
cLogP: | 4.27 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine BB: | EN300-07548 |
Enamine SCR: | Z56955923 |
Mcule: | MCULE-4901858673 |
MolPort: | MolPort-002-465-498 |
NIM-UNI-13494739-4
1.000
NIM-UNI-13494739-1
0.793
MAT-POS-916a2c5a-1
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NIM-UNI-13494739-3
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JOH-MR_-42fa5481-10
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JOH-MR_-42fa5481-5
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JOH-MR_-42fa5481-7
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MAR-LAB-ff9967db-36
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MAR-LAB-efb042c5-4
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MED-COV-4280ac29-30
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MAR-LAB-ff9967db-37
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JOH-MR_-42fa5481-6
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JOH-MR_-42fa5481-3
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JOH-MR_-42fa5481-4
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JOH-MR_-42fa5481-9
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NIM-UNI-13494739-9
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JOH-MR_-42fa5481-11
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JOH-MR_-42fa5481-12
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JOH-MR_-42fa5481-13
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JOH-MR_-42fa5481-2
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NIM-UNI-13494739-10
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JOH-MR_-42fa5481-1
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JOH-MR_-42fa5481-14
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NIM-UNI-13494739-8
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NIM-UNI-13494739-7
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JON-UNI-93996c9d-7
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JON-UNI-93996c9d-12
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JON-UNI-93996c9d-6
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JOH-MR_-42fa5481-8
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MAT-POS-fa06b69f-7
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TAT-ENA-80bfd3e5-45
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NIM-UNI-13494739-11
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UNK-UNK-2ede4078-58
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TAT-ENA-80bfd3e5-15
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SAD-SAT-5b1897b2-5
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NIM-UNI-13494739-2
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AAR-POS-d2a4d1df-22
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GIA-UNK-20b63697-8
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DRR-IMP-38dce17f-8
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SAD-SAT-65574d3f-10
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MAT-POS-b5746674-93
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AAR-POS-0daf6b7e-16
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LON-WEI-120e5cf5-3
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JON-UNI-93996c9d-11
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MAK-UNK-af83ef51-2
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ALP-POS-182116e9-3
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AAR-POS-0daf6b7e-17
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GIA-UNK-20b63697-9
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GIA-UNK-20b63697-4
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DAR-DIA-8b715a25-2
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GIA-UNK-4de5abb1-2
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SAD-SAT-29425be4-3
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JAR-KUA-8c13982c-19
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SAD-SAT-29425be4-8
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DAV-CRI-3fe943ba-2
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HYO-UNK-1dbfcf16-1
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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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GIA-UNK-4de5abb1-5
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MAR-TRE-36bf7dba-44
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JON-UNI-bb9dc649-8
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PEI-IMP-668afc53-2
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THO-SYG-f9b2970d-4
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