Molecular Properties | |
SMILES: | CC(C)(N)CNC(=O)CN1CC2(CCN(c3cncc4ccccc34)C2=O)c2cc(Cl)ccc2C1=O |
MW: | 505.19 |
Fraction sp3: | 0.33 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 108.63 |
cLogP: | 2.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
EDJ-MED-33064c06-12
0.887
EDJ-MED-33064c06-2
0.837
LUO-POS-9931618f-1
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MIK-ENA-37e0b697-1
0.812
MIK-ENA-794411b8-1
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EDJ-MED-8bb691af-8
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LUO-POS-9931618f-2
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PET-UNK-14142a25-1
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PET-UNK-14142a25-10
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EDJ-MED-33064c06-5
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EDJ-MED-33064c06-8
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EDJ-MED-33064c06-3
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EDJ-MED-3af0740c-1
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EDJ-MED-33064c06-14
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EDJ-MED-4cb9dd84-1
0.792
EDJ-MED-33064c06-10
0.786
EDJ-MED-33064c06-17
0.779
JOH-MSK-4bb3d434-1
0.778
ALP-POS-c3a90b22-11
0.769
EDJ-MED-33064c06-6
0.764
ALP-POS-c3a90b22-12
0.762
EDJ-MED-33064c06-4
0.762
EDJ-MED-33064c06-9
0.762
EDJ-MED-33064c06-18
0.748
EDJ-MED-33064c06-15
0.733
ALP-POS-c3a90b22-5
0.705
PET-UNK-14142a25-2
0.695
PET-UNK-14142a25-11
0.695
EDJ-MED-6b23330e-7
0.692
PET-UNK-aa57768f-2
0.686
PET-UNK-aa57768f-3
0.686
PET-UNK-aa57768f-8
0.686
PET-UNK-aa57768f-9
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EDG-MED-b1ef7fe3-4
0.673
EDJ-MED-40e596c8-4
0.673
PET-UNK-6af7266d-1
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PET-UNK-37c7074c-1
0.664
PET-UNK-37c7074c-3
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PET-UNK-6af7266d-3
0.664
EDJ-MED-cc48ee33-7
0.661
EDJ-MED-0d144977-3
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EDJ-MED-0d144977-2
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LUO-POS-8c3e556a-2
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EDG-MED-b1ef7fe3-1
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LUO-POS-8c3e556a-1
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PET-UNK-37c7074c-2
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PET-UNK-37c7074c-4
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EDJ-MED-0d144977-1
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EDJ-MED-40e596c8-5
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EDJ-MED-cc48ee33-2
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PET-UNK-aa57768f-1
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EDG-MED-b1ef7fe3-2
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EDJ-MED-b6c6ee2b-6
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PET-UNK-aa57768f-7
0.642
EDJ-MED-0d144977-4
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EDJ-MED-0d144977-5
0.640
MAT-POS-576f7758-2
0.636
EDJ-MED-4cb9dd84-2
0.636
MIK-ENA-434a856c-1
0.636
MIK-ENA-93ef1e28-1
0.636
LUO-POS-e1dab717-2
0.636
EDJ-MED-976a33d5-1
0.636
MAT-POS-e48723dc-1
0.636
MAT-POS-e48723dc-2
0.636
EDG-MED-b1ef7fe3-3
0.636
MAT-POS-38eb6498-6
0.631
VLA-UNK-61877630-5
0.627
VLA-UNK-8e615992-2
0.627
ALP-POS-afe0272e-2
0.626
EDJ-MED-98c0a822-3
0.625
ALP-POS-c3a90b22-1
0.625
ALP-POS-c3a90b22-8
0.619
MAT-POS-ddfe83c6-1
0.616
EDJ-MED-6b23330e-2
0.616
EDJ-MED-7d88f880-1
0.614
ALP-POS-c3a90b22-3
0.614
EDJ-MED-33064c06-13
0.614
EDJ-MED-98c0a822-4
0.614
EDJ-MED-59d5ca70-1
0.612
EDJ-MED-9f4ac58c-2
0.611
EDJ-MED-6b23330e-4
0.611
EDJ-MED-6b23330e-6
0.605
EDJ-MED-9f4ac58c-6
0.605
VLA-UNK-8e615992-1
0.604
VLA-UNK-61877630-4
0.604
PET-UNK-4c71d490-3
0.602
PET-UNK-4c71d490-7
0.602
MAT-POS-853c0ffa-1
0.598
MAT-POS-1d5ab790-3
0.598
ALP-POS-c3a90b22-9
0.593
EDJ-MED-33064c06-11
0.593
BRU-THA-ae0174a8-1
0.593
MAT-POS-1bed62cf-2
0.589
LUO-POS-868e8996-7
0.589
LUO-POS-868e8996-8
0.589
PET-UNK-aa57768f-5
0.586
PET-UNK-aa57768f-6
0.586
PET-UNK-aa57768f-12
0.586
PET-UNK-aa57768f-11
0.586
EDJ-MED-6b23330e-3
0.585