Molecular Properties | |
SMILES: | N#CCN1C[C@]2(CCCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 430.12 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 77.3 |
cLogP: | 3.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-C-Hal or cyano methyl
cyanamide
PET-UNK-aa57768f-11
1.000
PET-UNK-aa57768f-6
0.868
PET-UNK-aa57768f-12
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PET-UNK-aa57768f-8
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PET-UNK-aa57768f-2
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PET-UNK-14142a25-11
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PET-UNK-14142a25-2
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PET-UNK-aa57768f-4
0.735
PET-UNK-aa57768f-10
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PET-UNK-aa57768f-3
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PET-UNK-aa57768f-9
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PET-UNK-626a1084-1
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PET-UNK-626a1084-3
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PET-UNK-14142a25-3
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LUO-POS-e1dab717-14
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PET-UNK-14142a25-12
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PET-UNK-14142a25-10
0.631
EDJ-MED-8bb691af-8
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PET-UNK-14142a25-1
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MIK-ENA-37e0b697-1
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LUO-POS-9931618f-1
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MIK-ENA-794411b8-1
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LUO-POS-9931618f-2
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EDJ-MED-33064c06-15
0.630
ALP-POS-c3a90b22-8
0.624
PET-UNK-6af7266d-1
0.623
PET-UNK-6af7266d-3
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JOH-MSK-4bb3d434-1
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PET-UNK-aa57768f-1
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PET-UNK-aa57768f-7
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EDJ-MED-0d144977-2
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EDJ-MED-33064c06-17
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EDJ-MED-33064c06-14
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PET-UNK-37c7074c-1
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PET-UNK-37c7074c-3
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PET-UNK-37c7074c-2
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PET-UNK-37c7074c-4
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EDJ-MED-cc48ee33-7
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EDJ-MED-0d144977-3
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ALP-POS-c3a90b22-5
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EDJ-MED-9f4ac58c-2
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EDJ-MED-33064c06-2
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EDJ-MED-33064c06-18
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EDJ-MED-0d144977-1
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PET-UNK-7e9559de-2
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PET-UNK-7e9559de-5
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EDJ-MED-40e596c8-4
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EDJ-MED-33064c06-3
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EDJ-MED-33064c06-10
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ALP-POS-133e7cd9-1
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ALP-POS-c3a90b22-1
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EDJ-MED-98c0a822-3
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EDJ-MED-33064c06-4
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EDJ-MED-33064c06-9
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ALP-POS-c3a90b22-12
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MAT-POS-e48723dc-2
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LUO-POS-e1dab717-2
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EDJ-MED-976a33d5-1
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MAT-POS-576f7758-2
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MAT-POS-e48723dc-1
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ALP-POS-477dc5b7-5
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MAT-POS-e20a5dfb-1
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MAT-POS-e20a5dfb-2
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ALP-POS-e0fe77e5-7
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ALP-POS-133e7cd9-2
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EDJ-MED-33064c06-6
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PET-UNK-626a1084-2
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PET-UNK-626a1084-4
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EDJ-MED-9f4ac58c-6
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VLA-UNK-c65c1026-1
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EDJ-MED-98c0a822-4
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ALP-POS-c3a90b22-3
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EDJ-MED-33064c06-13
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ALP-POS-e0fe77e5-13
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EDJ-MED-59d5ca70-1
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DAR-DIA-6be260fc-6
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LUO-POS-e1dab717-13
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EDJ-MED-33064c06-11
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LUO-POS-e1dab717-19
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EDJ-MED-accc2c4d-3
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PET-UNK-14142a25-17
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PET-UNK-14142a25-8
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PET-UNK-4c71d490-3
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PET-UNK-4c71d490-7
0.509
PET-UNK-7e9559de-1
0.509
MAT-POS-96396902-1
0.509