Molecular Properties | |
SMILES: | N#CC1(CNC(=O)CN2CC3(CCN(c4cncc5ccc(OCCNCC(F)(F)F)cc45)C3=O)c3cc(Cl)ccc3C2=O)CC1 |
MW: | 654.2 |
Fraction sp3: | 0.41 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 10 |
TPSA: | 127.66 |
cLogP: | 3.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
high halogen content (>3)
Long aliphatic chain
EDJ-MED-3af0740c-2
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EDJ-MED-4138fde9-6
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EDJ-MED-33064c06-17
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EDJ-MED-b6c6ee2b-5
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MAT-POS-38eb6498-4
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EDJ-MED-4138fde9-2
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EDJ-MED-4138fde9-4
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MAT-POS-ddfe83c6-1
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MIK-ENA-434a856c-1
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MIK-ENA-93ef1e28-1
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MIK-ENA-26b331e0-1
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EDJ-MED-4138fde9-5
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EDJ-MED-3af0740c-1
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EDG-MED-b1ef7fe3-1
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LUO-POS-8c3e556a-1
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LUO-POS-8c3e556a-2
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EDJ-MED-33064c06-2
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EDJ-MED-33064c06-14
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EDJ-MED-33064c06-8
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EDJ-MED-b6c6ee2b-6
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EDG-MED-b1ef7fe3-2
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EDJ-MED-33064c06-10
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EDJ-MED-33064c06-5
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EDJ-MED-33064c06-3
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EDJ-MED-33064c06-1
0.529
LUO-POS-e1dab717-8
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EDJ-MED-33064c06-12
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MAT-POS-38eb6498-6
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EDJ-MED-4cb9dd84-1
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EDJ-MED-dfa1d800-5
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EDJ-MED-33064c06-15
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ALP-POS-c3a90b22-11
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EDJ-MED-dfa1d800-1
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EDJ-MED-dfa1d800-4
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MAT-POS-1a788f51-4
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EDJ-MED-4138fde9-1
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EDJ-MED-8bb691af-8
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PET-UNK-14142a25-10
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LUO-POS-9931618f-1
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PET-UNK-14142a25-1
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MIK-ENA-37e0b697-1
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MIK-ENA-794411b8-1
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LUO-POS-9931618f-2
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EDJ-MED-33064c06-18
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EDJ-MED-dfa1d800-2
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ALP-POS-c3a90b22-12
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EDJ-MED-33064c06-9
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EDJ-MED-33064c06-4
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JOH-MSK-4bb3d434-1
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MAT-POS-1a788f51-3
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EDG-MED-b1ef7fe3-3
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EDG-MED-b1ef7fe3-4
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EDJ-MED-dfa1d800-3
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PET-UNK-c6bcc80b-6
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PET-UNK-c6bcc80b-13
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EDJ-MED-33064c06-6
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MAT-POS-1a788f51-1
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EDJ-MED-4138fde9-3
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EDJ-MED-5cd3920d-3
0.483
MAT-POS-40ad851a-4
0.480
MAT-POS-1a788f51-2
0.480
LUO-POS-8484f2d3-2
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MAT-POS-853c0ffa-9
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MAT-POS-38eb6498-1
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LUO-POS-8484f2d3-1
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MIK-ENA-8063e9dc-1
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MIK-ENA-7066949b-1
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LUO-POS-e1dab717-6
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ALP-POS-c3a90b22-8
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EDJ-MED-468565e0-5
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MAT-POS-e75f6e44-11
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PET-UNK-aa57768f-2
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PET-UNK-aa57768f-8
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MAT-POS-40ad851a-2
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EDJ-MED-5cd3920d-1
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EDJ-MED-468565e0-4
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EDJ-MED-468565e0-1
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EDJ-MED-b6c6ee2b-1
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MAT-POS-38eb6498-3
0.460
EDJ-MED-ee81482e-3
0.459
EDJ-MED-7d88f880-1
0.458
EDJ-MED-40e596c8-4
0.458
MAT-POS-40ad851a-3
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MAT-POS-40ad851a-5
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EDJ-MED-9f4ac58c-2
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LUO-POS-e1dab717-7
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MAT-POS-853c0ffa-1
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MAT-POS-1d5ab790-3
0.454
LUO-POS-e1dab717-4
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ALP-POS-c3a90b22-5
0.454
EDJ-MED-3af0740c-4
0.451
EDJ-MED-468565e0-2
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PET-UNK-aa57768f-3
0.445
PET-UNK-aa57768f-9
0.445
MIK-ENA-30ee93be-1
0.445
EDJ-MED-468565e0-3
0.444
EDJ-MED-b6c6ee2b-7
0.441
EDJ-MED-40e596c8-5
0.438
EDJ-MED-9f4ac58c-1
0.438