Molecular Properties | |
SMILES: | CC(C)(O)CNC(=O)CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 506.17 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 102.84 |
cLogP: | 2.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
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EDJ-MED-33064c06-2
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EDJ-MED-33064c06-17
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EDJ-MED-33064c06-9
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ALP-POS-c3a90b22-12
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EDJ-MED-33064c06-15
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ALP-POS-c3a90b22-5
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PET-UNK-aa57768f-3
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PET-UNK-aa57768f-9
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EDJ-MED-6b23330e-4
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PET-UNK-14142a25-2
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PET-UNK-14142a25-11
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PET-UNK-aa57768f-2
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PET-UNK-aa57768f-8
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EDJ-MED-0d144977-3
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EDJ-MED-0d144977-2
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EDG-MED-b1ef7fe3-2
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LUO-POS-8c3e556a-2
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EDJ-MED-0d144977-5
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MAT-POS-576f7758-2
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VLA-UNK-8e615992-2
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ALP-POS-c3a90b22-1
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EDG-MED-b1ef7fe3-3
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ALP-POS-c3a90b22-8
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MAT-POS-ddfe83c6-1
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EDJ-MED-6b23330e-2
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EDJ-MED-7d88f880-1
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ALP-POS-c3a90b22-3
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EDJ-MED-98c0a822-4
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EDJ-MED-33064c06-13
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EDJ-MED-59d5ca70-1
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EDJ-MED-6b23330e-6
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VLA-UNK-8e615992-1
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VLA-UNK-61877630-4
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PET-UNK-4c71d490-3
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PET-UNK-4c71d490-7
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PET-UNK-aa57768f-12
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PET-UNK-aa57768f-6
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MAT-POS-853c0ffa-1
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MAT-POS-1d5ab790-3
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ALP-POS-c3a90b22-9
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EDJ-MED-33064c06-11
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BRU-THA-ae0174a8-1
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PET-UNK-aa57768f-11
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EDJ-MED-6b23330e-3
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EDJ-MED-9f4ac58c-2
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MAT-POS-e75f6e44-5
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ALP-POS-ecbed2ba-14
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MAT-POS-38eb6498-4
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